Thioridazin
Übersicht
Beschreibung
Thioridazin ist ein Phenothiazin-Antipsychotikum, das hauptsächlich zur Behandlung von Schizophrenie und generalisierter Angststörung eingesetzt wird . Es wurde aufgrund seiner antipsychotischen Eigenschaften weit verbreitet, aber wegen seiner Verbindung mit Herzrhythmusstörungen vom Markt genommen . This compound ist bekannt für seine Fähigkeit, postsynaptische mesolimbische dopaminerge Rezeptoren im Gehirn zu blockieren, was bei der Behandlung von psychotischen Symptomen hilft .
Herstellungsmethoden
This compound kann durch verschiedene Methoden synthetisiert werden. Eine übliche Syntheseroute beinhaltet die Reaktion von 2-Methylmercapto-10-(2-(N-Methyl-2-piperidyl)ethyl)phenothiazin mit geeigneten Reagenzien . Die Synthese von optisch reinen Enantiomeren von this compound wurde mit einer Hilfsstoff-basierten Strategie erreicht, die eine hohe optische Reinheit und eine gute Gesamtausbeute ermöglicht . Industrielle Produktionsmethoden beinhalten häufig die großtechnische Synthese unter ähnlichen Reaktionsbedingungen, die jedoch auf Effizienz und Wirtschaftlichkeit optimiert sind .
Wirkmechanismus
Target of Action
Thioridazine primarily targets postsynaptic mesolimbic dopaminergic D1 and D2 receptors in the brain . These receptors play a crucial role in the regulation of various brain functions, including behavior, mood, and cognition .
Mode of Action
Thioridazine interacts with its targets by blocking the dopaminergic D1 and D2 receptors . This blockage inhibits the alpha-adrenergic effect and depresses the release of hypothalamic and hypophyseal hormones . It is also believed to depress the reticular activating system, thus affecting basal metabolism, body temperature, wakefulness, vasomotor tone, and emesis .
Biochemical Pathways
Thioridazine affects several biochemical pathways. It has been reported to induce autophagy and immunogenic cell death (ICD) in colorectal cancer (CRC) cells . Thioridazine induces endoplasmic reticulum (ER) stress in CRC cells by activating the eIF2α/ATF4/CHOP axis and facilitating the accumulation of secretory autophagosomes, leading to ICD .
Pharmacokinetics
Thioridazine is rapidly absorbed and undergoes extensive hepatic metabolism . The active metabolites of thioridazine include mesoridazine and sulphoridazine .
Result of Action
The molecular and cellular effects of thioridazine’s action are quite significant. Thioridazine renders multidrug-resistant (MDR) cancer cells susceptible to cytotoxic agents to which they were initially resistant . It has anti-proliferative activity and apoptosis-inducing properties in various tumor cell lines and cancer stem cells . Thioridazine also induces major changes in global gene expression and cell wall composition in methicillin-resistant Staphylococcus aureus USA300 .
Wissenschaftliche Forschungsanwendungen
Es hat vielversprechende Wirkungen gegen verschiedene Bakterienstämme gezeigt, darunter Mycobacterium tuberculosis und Methicillin-resistenter Staphylococcus aureus . Thioridazin hat auch suppressive Wirkungen auf ausgewählte Krebszelllinien gezeigt, was es zu einem Kandidaten für die Krebsforschung macht . Darüber hinaus wurde es für seine potenzielle Verwendung in Kombination mit Anti-Tuberkulose-Medikamenten der ersten Linie untersucht, um antibiotikaresistente Stämme von Mycobacterium tuberculosis zu bekämpfen .
Wirkmechanismus
This compound entfaltet seine Wirkungen durch Blockierung postsynaptischer mesolimbischer dopaminerger D1- und D2-Rezeptoren im Gehirn . Es blockiert auch alpha-adrenerge Rezeptoren, unterdrückt die Freisetzung von hypothalamischen und hypophysären Hormonen und beeinflusst das retikuläre Aktivierungssystem, das den Grundumsatz, die Körpertemperatur, die Wachheit, den Gefäßtonus und das Erbrechen beeinflusst . Diese Wirkungen tragen zu seinen antipsychotischen und anxiolytischen Effekten bei .
Biochemische Analyse
Biochemical Properties
Thioridazine has been shown to interact with nucleic acids, causing damage and scissions, particularly at high concentrations . It has also been observed to act synergistically with caffeine, a well-known inhibitor of cellular repair mechanisms, to potentiate the cytogenetic effect of melphalan on human lymphocytes .
Cellular Effects
Thioridazine has been found to have cytotoxic effects in different cell and tissue cultures . It has been shown to decrease the growth of GBM cells and GBM stem-like cells . Furthermore, thioridazine can reduce the minimum inhibitory concentration (MIC) of ciprofloxacin in Staphylococcus aureus strains resistant to it by increased efflux .
Molecular Mechanism
The molecular mechanism of action of thioridazine involves its interaction with nucleic acids, causing damage and scissions . It also acts as a strong calmodulin inhibitor, facilitating the intracellular retention of melphalan . Molecular docking studies have shown the Penicillin-binding proteins PBP3 and PBP2a inhibition by sulforidazine as a possible mechanism of action against Staphylococcus aureus and MRSA strains, respectively .
Temporal Effects in Laboratory Settings
The effects of thioridazine have been studied over time in laboratory settings. It has been observed that thioridazine causes damage to nucleic acids but only at concentrations much higher than those used in cytogenetic experiments .
Metabolic Pathways
It is known that thioridazine can act as a strong calmodulin inhibitor .
Transport and Distribution
It is known that thioridazine can facilitate the intracellular retention of melphalan .
Subcellular Localization
It is known that thioridazine can interact with nucleic acids, causing damage and scissions .
Vorbereitungsmethoden
Thioridazine can be synthesized through various methods. One common synthetic route involves the reaction of 2-methylmercapto-10-(2-(N-methyl-2-piperidyl)ethyl)phenothiazine with appropriate reagents . The synthesis of optically pure enantiomers of thioridazine has been achieved using an auxiliary-based strategy, which allows for high optical purity and good overall yield . Industrial production methods often involve large-scale synthesis using similar reaction conditions but optimized for efficiency and cost-effectiveness .
Analyse Chemischer Reaktionen
Thioridazin unterliegt verschiedenen Arten von chemischen Reaktionen, darunter Oxidation, Reduktion und Substitution . Häufig verwendete Reagenzien in diesen Reaktionen sind Oxidationsmittel wie Kaliumpermanganat und Reduktionsmittel wie Lithiumaluminiumhydrid . Wichtige Produkte, die aus diesen Reaktionen gebildet werden, sind verschiedene Sulfoxide und Sulfondderivate . Beispielsweise kann this compound oxidiert werden, um Mesoridazin zu bilden, einen Metaboliten mit ähnlichen pharmakologischen Eigenschaften .
Vergleich Mit ähnlichen Verbindungen
Thioridazin gehört zur Klasse der Phenothiazin-Antipsychotika, zu der auch andere Verbindungen wie Chlorpromazin und Fluphenazin gehören . Im Vergleich zu Chlorpromazin hat this compound eine geringere Häufigkeit von extrapyramidalen Symptomen, aber eine höhere Häufigkeit von anticholinergen Wirkungen . This compound ist einzigartig in seiner Fähigkeit, psychotische Symptome mit weniger motorischen Nebenwirkungen zu behandeln, was es zu einer wertvollen Option für Patienten macht, die gegenüber diesen Nebenwirkungen empfindlich sind . Andere ähnliche Verbindungen sind Quetiapin und Aripiprazol, atypische Antipsychotika mit unterschiedlichen pharmakologischen Profilen .
Eigenschaften
IUPAC Name |
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine |
Source
|
|---|---|---|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
InChI |
InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
InChI Key |
KLBQZWRITKRQQV-UHFFFAOYSA-N |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Canonical SMILES |
CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Molecular Formula |
C21H26N2S2 |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
DSSTOX Substance ID |
DTXSID6023656 |
Source
|
| Record name | Thioridazine | |
| Source | EPA DSSTox | |
| URL | https://comptox.epa.gov/dashboard/DTXSID6023656 | |
| Description | DSSTox provides a high quality public chemistry resource for supporting improved predictive toxicology. | |
Molecular Weight |
370.6 g/mol |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Physical Description |
Solid |
Source
|
| Record name | Thioridazine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014817 | |
| Description | The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. | |
| Explanation | HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications. | |
Boiling Point |
BP: 230 °C at 0.02 mm Hg |
Source
|
| Record name | Thioridazine | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00679 | |
| Description | The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. | |
| Explanation | Creative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode) | |
| Record name | Thioridazine | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3189 | |
| Description | The Hazardous Substances Data Bank (HSDB) is a toxicology database that focuses on the toxicology of potentially hazardous chemicals. It provides information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, nanomaterials, and related areas. The information in HSDB has been assessed by a Scientific Review Panel. | |
Solubility |
Soluble in alcohol (1 in 6), chloroform (1 in 0.81), ether (1 in 3); freely soluble in dehydrated alcohol. Insoluble in water, Slightly soluble in acetone, In water, log units of molar solubility, mole/L = -5.82 (0.560 mg/L), 8.55e-04 g/L |
Source
|
| Record name | Thioridazine | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00679 | |
| Description | The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. | |
| Explanation | Creative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode) | |
| Record name | Thioridazine | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3189 | |
| Description | The Hazardous Substances Data Bank (HSDB) is a toxicology database that focuses on the toxicology of potentially hazardous chemicals. It provides information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, nanomaterials, and related areas. The information in HSDB has been assessed by a Scientific Review Panel. | |
| Record name | Thioridazine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014817 | |
| Description | The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. | |
| Explanation | HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications. | |
Mechanism of Action |
Thioridazine blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors in the brain; blocks alpha-adrenergic effect, depresses the release of hypothalamic and hypophyseal hormones and is believed to depress the reticular activating system thus affecting basal metabolism, body temperature, wakefulness, vasomotor tone, and emesis., The basic pharmacological activity of thioridazine is similar to that of other phenothiazines, but is associated with minimal extrapyramidal stimulation., The principal pharmacologic effects of thioridazine are similar to those of chlorpromazine. On a weight basis, thioridazine is about as potent as chlorpromazine. Thioridazine has strong anticholinergic and sedative effects and weak extrapyramidal effects. Thioridazine has little antiemetic activity., The development of phenothiazine derivatives as psychopharmacologic agents resulted from the observation that certain phenothiazine antihistaminic compounds produced sedation. In an attempt to enhance the sedative effects of these drugs, promethazine and chlorpromazine were synthesized. Chlorpromazine is the pharmacologic prototype of the phenothiazines. The pharmacology of phenothiazines is complex, and because of their actions on the central and autonomic nervous systems, the drugs affect many different sites in the body. Although the actions of the various phenothiazines are generally similar, these drugs differ both quantitatively and qualitatively in the extent to which they produce specific pharmacologic effects. /Phenothiazine General Statement/, In the CNS, phenothiazines act principally at the subcortical levels of the reticular formation, limbic system, and hypothalamus. Phenothiazines generally do not produce substantial cortical depression; however, there is minimal information on the specific effects of phenothiazines at the cortical level. Phenothiazines also act in the basal ganglia, exhibiting extrapyramidal effects. The precise mechanism(s) of action, including antipsychotic action, of phenothiazines has not been determined, but may be principally related to antidopaminergic effects of the drugs. There is evidence to indicate that phenothiazines antagonize dopamine-mediated neurotransmission at the synapses. There is also some evidence that phenothiazines may block postsynaptic dopamine receptor sites. However, it has not been determined whether the antipsychotic effect of the drugs is causally related to their antidopaminergic effects. Phenothiazines also have peripheral and/or central antagonistic activity against alpha-adrenergic, serotonergic, histaminic (H1-receptors), and muscarinic receptors. Phenothiazines also have some adrenergic activity, since they block the reuptake of monoamines at the presynaptic neuronal membrane, which tends to enhance neurotransmission. The effects of phenothiazines on the autonomic nervous system are complex and unpredictable because the drugs exhibit varying degrees of alpha-adrenergic blocking, muscarinic blocking, and adrenergic activity. The antipsychotic activity of phenothiazines may be related to any or all of these effects, but it has been suggested that the drugs' effects on dopamine are probably most important. It has also been suggested that effects of phenothiazines on other amines (eg, gamma-aminobutyric acid [GABA]) or peptides (eg, substance P, endorphins) may contribute to their antipsychotic effect. Further study is needed to determine the role of central neuronal receptor antagonism and of effects on biochemical mediators in the antipsychotic action of the phenothiazines and other antipsychotic agents. /Phenothiazine General Statement/, For more Mechanism of Action (Complete) data for Thioridazine (13 total), please visit the HSDB record page. |
Source
|
| Record name | Thioridazine | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00679 | |
| Description | The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. | |
| Explanation | Creative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode) | |
| Record name | Thioridazine | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3189 | |
| Description | The Hazardous Substances Data Bank (HSDB) is a toxicology database that focuses on the toxicology of potentially hazardous chemicals. It provides information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, nanomaterials, and related areas. The information in HSDB has been assessed by a Scientific Review Panel. | |
Color/Form |
Crystals from acetone, Colorless crystals | |
CAS No. |
50-52-2 |
Source
|
| Record name | Thioridazine | |
| Source | CAS Common Chemistry | |
| URL | https://commonchemistry.cas.org/detail?cas_rn=50-52-2 | |
| Description | CAS Common Chemistry is an open community resource for accessing chemical information. Nearly 500,000 chemical substances from CAS REGISTRY cover areas of community interest, including common and frequently regulated chemicals, and those relevant to high school and undergraduate chemistry classes. This chemical information, curated by our expert scientists, is provided in alignment with our mission as a division of the American Chemical Society. | |
| Explanation | The data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated. | |
| Record name | Thioridazine [USAN:USP:INN:BAN] | |
| Source | ChemIDplus | |
| URL | https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000050522 | |
| Description | ChemIDplus is a free, web search system that provides access to the structure and nomenclature authority files used for the identification of chemical substances cited in National Library of Medicine (NLM) databases, including the TOXNET system. | |
| Record name | Thioridazine | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00679 | |
| Description | The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. | |
| Explanation | Creative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode) | |
| Record name | Thioridazine | |
| Source | EPA DSSTox | |
| URL | https://comptox.epa.gov/dashboard/DTXSID6023656 | |
| Description | DSSTox provides a high quality public chemistry resource for supporting improved predictive toxicology. | |
| Record name | Thioridazine | |
| Source | European Chemicals Agency (ECHA) | |
| URL | https://echa.europa.eu/substance-information/-/substanceinfo/100.000.041 | |
| Description | The European Chemicals Agency (ECHA) is an agency of the European Union which is the driving force among regulatory authorities in implementing the EU's groundbreaking chemicals legislation for the benefit of human health and the environment as well as for innovation and competitiveness. | |
| Explanation | Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page. | |
| Record name | THIORIDAZINE | |
| Source | FDA Global Substance Registration System (GSRS) | |
| URL | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N3D6TG58NI | |
| Description | The FDA Global Substance Registration System (GSRS) enables the efficient and accurate exchange of information on what substances are in regulated products. Instead of relying on names, which vary across regulatory domains, countries, and regions, the GSRS knowledge base makes it possible for substances to be defined by standardized, scientific descriptions. | |
| Explanation | Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required. | |
| Record name | Thioridazine | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3189 | |
| Description | The Hazardous Substances Data Bank (HSDB) is a toxicology database that focuses on the toxicology of potentially hazardous chemicals. It provides information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, nanomaterials, and related areas. The information in HSDB has been assessed by a Scientific Review Panel. | |
| Record name | Thioridazine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014817 | |
| Description | The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. | |
| Explanation | HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications. | |
Melting Point |
72-74 °C, MP: 158-160 °C. UV max (water): 262, 310 nm (epsilon 41842, 3215); (95% ethanol): 264, 310 nm (epsilon 41598, 3256); (0.1N HCl): 264, 305 nm (epsilon 42371, 5495): (0.1N NaOH): 263 nm (epsilon 18392). Soluble in water (1 in 9); freely soluble in ethanol (1 in 10), methanol, chloroform (1 in 5). Insoluble in ether /Thioridazine hydrochloride/, 73 °C |
Source
|
| Record name | Thioridazine | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00679 | |
| Description | The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. | |
| Explanation | Creative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode) | |
| Record name | Thioridazine | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3189 | |
| Description | The Hazardous Substances Data Bank (HSDB) is a toxicology database that focuses on the toxicology of potentially hazardous chemicals. It provides information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, nanomaterials, and related areas. The information in HSDB has been assessed by a Scientific Review Panel. | |
| Record name | Thioridazine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014817 | |
| Description | The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. | |
| Explanation | HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications. | |
Retrosynthesis Analysis
AI-Powered Synthesis Planning: Our tool employs the Template_relevance Pistachio, Template_relevance Bkms_metabolic, Template_relevance Pistachio_ringbreaker, Template_relevance Reaxys, Template_relevance Reaxys_biocatalysis model, leveraging a vast database of chemical reactions to predict feasible synthetic routes.
One-Step Synthesis Focus: Specifically designed for one-step synthesis, it provides concise and direct routes for your target compounds, streamlining the synthesis process.
Accurate Predictions: Utilizing the extensive PISTACHIO, BKMS_METABOLIC, PISTACHIO_RINGBREAKER, REAXYS, REAXYS_BIOCATALYSIS database, our tool offers high-accuracy predictions, reflecting the latest in chemical research and data.
Strategy Settings
| Precursor scoring | Relevance Heuristic |
|---|---|
| Min. plausibility | 0.01 |
| Model | Template_relevance |
| Template Set | Pistachio/Bkms_metabolic/Pistachio_ringbreaker/Reaxys/Reaxys_biocatalysis |
| Top-N result to add to graph | 6 |
Feasible Synthetic Routes
Haftungsausschluss und Informationen zu In-Vitro-Forschungsprodukten
Bitte beachten Sie, dass alle Artikel und Produktinformationen, die auf BenchChem präsentiert werden, ausschließlich zu Informationszwecken bestimmt sind. Die auf BenchChem zum Kauf angebotenen Produkte sind speziell für In-vitro-Studien konzipiert, die außerhalb lebender Organismen durchgeführt werden. In-vitro-Studien, abgeleitet von dem lateinischen Begriff "in Glas", beinhalten Experimente, die in kontrollierten Laborumgebungen unter Verwendung von Zellen oder Geweben durchgeführt werden. Es ist wichtig zu beachten, dass diese Produkte nicht als Arzneimittel oder Medikamente eingestuft sind und keine Zulassung der FDA für die Vorbeugung, Behandlung oder Heilung von medizinischen Zuständen, Beschwerden oder Krankheiten erhalten haben. Wir müssen betonen, dass jede Form der körperlichen Einführung dieser Produkte in Menschen oder Tiere gesetzlich strikt untersagt ist. Es ist unerlässlich, sich an diese Richtlinien zu halten, um die Einhaltung rechtlicher und ethischer Standards in Forschung und Experiment zu gewährleisten.
