Chloroquin
Übersicht
Beschreibung
Chloroquin ist ein synthetisches Medikament, das hauptsächlich zur Behandlung und Vorbeugung von Malaria eingesetzt wird. Entdeckt im Jahr 1934 und in den 1940er Jahren in der Medizin eingeführt, gehört this compound zu den Chinolin-Derivaten, einer Reihe chemisch verwandter Antimalariamittel . Es ist wirksam gegen empfindliche Stämme der Malariaparasiten Plasmodium vivax, Plasmodium ovale und Plasmodium falciparum sowie bestimmte parasitäre Würmer und Amöben . Darüber hinaus wird this compound zur Behandlung entzündlicher rheumatischer Erkrankungen wie Lupus erythematodes und rheumatoider Arthritis eingesetzt .
Wirkmechanismus
Target of Action
Chloroquine primarily targets the heme polymerase in malarial trophozoites . This enzyme plays a crucial role in the survival of the malaria parasite, Plasmodium species, by converting toxic heme to non-toxic hemazoin .
Mode of Action
Chloroquine inhibits the action of heme polymerase, preventing the conversion of heme to hemazoin . As a result, Plasmodium species continue to accumulate toxic heme, which eventually leads to the death of the parasite . Chloroquine enters the red blood cell by simple diffusion, inhibiting the parasite cell and digestive vacuole . Once inside the cell, Chloroquine becomes protonated due to the acidic environment of the digestive vacuole, preventing it from leaving .
Biochemical Pathways
Chloroquine interferes with the autophagy pathway by preventing the fusion of autophagosomes with lysosomes . This inhibition of autophagy leads to an accumulation of cellular waste and damaged organelles, which can have various downstream effects, including impaired cellular function and cell death .
Pharmacokinetics
Chloroquine is 60% bound to plasma proteins and is equally cleared by the kidney and liver . Following administration, chloroquine is rapidly dealkylated via cytochrome P450 enzymes into the pharmacologically active desethylchloroquine and bisdesethylchloroquine . It is absorbed very rapidly following subcutaneous or intramuscular injection .
Result of Action
The inhibition of heme polymerase by chloroquine leads to the accumulation of toxic heme within the Plasmodium species, resulting in the death of the parasite . In addition, the inhibition of autophagy can lead to impaired cellular function and cell death .
Action Environment
Environmental factors can influence the action, efficacy, and stability of chloroquine. For instance, chloroquine has been found in aquatic environments due to its persistence . It enters into river systems through various pathways such as improper disposal of unused medication, excretion from medically treated individuals, and wastewater discharges from hospitals and pharmaceutical industries . This contamination raises environmental concerns due to its impact on aquatic ecosystems and potential threats to human health through drinking water supplies .
Wissenschaftliche Forschungsanwendungen
Chloroquin hat eine breite Palette an Anwendungen in der wissenschaftlichen Forschung:
Biologie: In der Zellbiologieforschung eingesetzt, um Autophagie und lysosomale Funktion zu untersuchen.
Medizin: Weit verbreitet in der Behandlung von Malaria, Lupus erythematodes und rheumatoider Arthritis.
Wirkmechanismus
This compound entfaltet seine Wirkung über verschiedene Mechanismen:
Antimalariamittelwirkung: this compound hemmt die Wirkung der Häm-Polymerase in Malaria-Trophozoiten und verhindert die Umwandlung von Häm zu Hämozoin.
Entzündungshemmende Wirkung: This compound moduliert die Immunantwort, indem es die Produktion proinflammatorischer Zytokine hemmt und die Antigenpräsentation stört.
Antivirale Wirkung: This compound erhöht den pH-Wert von Endosomen, Lysosomen und Golgi-Vesikeln und verhindert, dass Viruspartikel ihre Aktivität für die Fusion und den Eintritt in die Zelle nutzen.
Biochemische Analyse
Biochemical Properties
Chloroquine interacts with various enzymes, proteins, and other biomolecules. High-performance liquid chromatography (HPLC) coupled to UV detectors is the most employed method to quantify Chloroquine in pharmaceutical products and biological samples .
Cellular Effects
Chloroquine has exhibited a broad spectrum of action against various fungus, bacteria, and viruses . It has been identified to have severe gastrointestinal, neurological, cardiac, and ocular side effects, which are commonly related to Chloroquine dose and treatment time .
Molecular Mechanism
Chloroquine and its analog, hydroxychloroquine, have similar chemical structure and pharmacokinetics properties . Both drugs cross cell membranes well . Hydroxychloroquine is more polar, less lipophilic, and has more difficulty diffusing across cell membranes .
Temporal Effects in Laboratory Settings
The main chromatographic conditions used to identify and quantify Chloroquine from tablets and injections, degradation products, and metabolites are presented and discussed .
Dosage Effects in Animal Models
The occurrence and intensity of side effects of Chloroquine are commonly related to its dose and treatment time .
Metabolic Pathways
Chloroquine is involved in various metabolic pathways. The main chromatographic conditions used to identify and quantify Chloroquine from tablets and injections, degradation products, and metabolites are presented and discussed .
Transport and Distribution
Both Chloroquine and hydroxychloroquine cross cell membranes well . Hydroxychloroquine is more polar, less lipophilic, and has more difficulty diffusing across cell membranes .
Vorbereitungsmethoden
Synthesewege und Reaktionsbedingungen
Die Synthese von Chloroquin beinhaltet die Kondensationsreaktion von 4,7-Dichlorchinolin mit 2-Amino-5-diethylaminopentan . Die Reaktion verläuft in folgenden Schritten:
Kondensationsreaktion: 4,7-Dichlorchinolin reagiert mit 2-Amino-5-diethylaminopentan zu this compound.
Alkalische Extraktion: Die Reaktionsmischung wird alkalisch extrahiert, um this compound zu isolieren.
Konzentration und Kristallisation: Das isolierte this compound wird konzentriert und kristallisiert, um die Reinheit zu verbessern.
Salifizierung: Das gereinigte this compound wird dann mit Phosphorsäure versetzt, um Chloroquinphosphat zu erhalten.
Industrielle Produktionsmethoden
Die industrielle Produktion von this compound erfolgt nach ähnlichen Synthesewegen, jedoch in größerem Maßstab. Der Prozess umfasst:
Massensynthese: Es werden große Mengen an 4,7-Dichlorchinolin und 2-Amino-5-diethylaminopentan verwendet.
Kontinuierliche Extraktion und Kristallisation: Die Reaktionsmischung wird kontinuierlich extrahiert und kristallisiert, um eine hohe Ausbeute und Reinheit zu gewährleisten.
Qualitätskontrolle: Das Endprodukt wird strengen Qualitätskontrollen unterzogen, um die Einhaltung der pharmazeutischen Standards zu gewährleisten.
Analyse Chemischer Reaktionen
Arten von Reaktionen
Chloroquin unterliegt verschiedenen chemischen Reaktionen, darunter:
Oxidation: this compound kann oxidiert werden, um Chinolin-Derivate zu bilden.
Reduktion: Reduktionsreaktionen können die Chinolinringstruktur verändern.
Substitution: Substitutionsreaktionen können an den Chlor- und Aminogruppen auftreten.
Häufige Reagenzien und Bedingungen
Oxidation: Häufige Oxidationsmittel umfassen Kaliumpermanganat und Wasserstoffperoxid.
Reduktion: Reduktionsmittel wie Lithiumaluminiumhydrid und Natriumborhydrid werden verwendet.
Substitution: Substitutionsreaktionen beinhalten oft Nukleophile wie Amine und Thiole.
Hauptprodukte
Oxidationsprodukte: Chinolin-Derivate mit veränderten Ringstrukturen.
Reduktionsprodukte: Reduzierte Chinolinverbindungen.
Substitutionsprodukte: Substituierte this compound-Derivate mit verschiedenen funktionellen Gruppen.
Vergleich Mit ähnlichen Verbindungen
Chloroquin wird mit anderen ähnlichen Verbindungen verglichen, wobei seine Einzigartigkeit hervorgehoben wird:
Hydroxythis compound: Ähnlich in Struktur und Funktion zu this compound, aber im Allgemeinen als weniger toxisch angesehen.
Chinin: Eine natürliche Verbindung, die zur Behandlung von Malaria eingesetzt wird.
Mefloquin: Ein weiteres synthetisches Antimalariamittel mit einem anderen Wirkmechanismus.
Artemisinin: Eine natürliche Verbindung mit starker antimalarieller Wirkung.
Die einzigartigen Eigenschaften von this compound, wie z. B. seine Fähigkeit, die Häm-Polymerase zu hemmen und die Immunantwort zu modulieren, machen es zu einer wertvollen Verbindung sowohl in der medizinischen als auch in der wissenschaftlichen Forschung.
Eigenschaften
IUPAC Name |
4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine |
Source
|
|---|---|---|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
InChI |
InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
InChI Key |
WHTVZRBIWZFKQO-UHFFFAOYSA-N |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Canonical SMILES |
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Molecular Formula |
C18H26ClN3 |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
DSSTOX Substance ID |
DTXSID2040446 |
Source
|
| Record name | Chloroquine | |
| Source | EPA DSSTox | |
| URL | https://comptox.epa.gov/dashboard/DTXSID2040446 | |
| Description | DSSTox provides a high quality public chemistry resource for supporting improved predictive toxicology. | |
Molecular Weight |
319.9 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 | Chloroquine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014746 | |
| 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. | |
Solubility |
Bitter colorless crystals, dimorphic. Freely soluble in water, less sol in neutral or alkaline pH. Stable to heat in soln pH4 to 6.5. Practically in soluble in alcohol, benzene and chloroform /Diphosphate/, WHITE CRYSTALLINE POWDER; ODORLESS; BITTER TASTE; FREELY SOL IN WATER;PRACTICALLY INSOL IN ALCOHOL, CHLOROFORM, ETHER; AQ SOLN HAS PH OF ABOUT 4.5; PKA1= 7; PKA2= 9.2 /PHOSPHATE/, VERY SLIGHTLY SOL IN WATER; SOL IN DIL ACIDS, CHLOROFORM, ETHER, Insoluble in alcohol, benzene, chloroform, ether., 1.75e-02 g/L |
Source
|
| Record name | CHLOROQUINE | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3029 | |
| 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 | Chloroquine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014746 | |
| 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 |
Chloroquine inhibits the action of heme polymerase in malarial trophozoites, preventing the conversion of heme to hemazoin. _Plasmodium_ species continue to accumulate toxic heme, killing the parasite. Chloroquine passively diffuses through cell membranes and into endosomes, lysosomes, and Golgi vesicles; where it becomes protonated, trapping the chloroquine in the organelle and raising the surrounding pH. The raised pH in endosomes, prevent virus particles from utilizing their activity for fusion and entry into the cell. Chloroquine does not affect the level of ACE2 expression on cell surfaces, but inhibits terminal glycosylation of ACE2, the receptor that SARS-CoV and SARS-CoV-2 target for cell entry. ACE2 that is not in the glycosylated state may less efficiently interact with the SARS-CoV-2 spike protein, further inhibiting viral entry., The exact mechanism of antimalarial activity of chloroquine has not been determined. The 4-aminoquinoline derivatives appear to bind to nucleoproteins and interfere with protein synthesis in susceptible organisms; the drugs intercalate readily into double-stranded DNA and inhibit both DNA and RNA polymerase. In addition, studies using chloroquine indicate that the drug apparently concentrates in parasite digestive vacuoles, increases the pH of the vacuoles, and interferes with the parasite's ability to metabolize and utilize erythrocyte hemoglobin. Plasmodial forms that do not have digestive vacuoles and do not utilize hemoglobin, such as exoerythrocytic forms, are not affected by chloroquine., The 4-aminoquinoline derivatives, including chloroquine, also have anti-inflammatory activity; however, the mechanism(s) of action of the drugs in the treatment of rheumatoid arthritis and lupus erythematosus has not been determined. Chloroquine reportedly antagonizes histamine in vitro, has antiserotonin effects, and inhibits prostaglandin effects in mammalian cells presumably by inhibiting conversion of arachidonic acid to prostaglandin F2. In vitro studies indicate that chloroquine also inhibits chemotaxis of polymorphonuclear leukocytes, macrophages, and eosinophils., Antiprotozoal-Malaria: /Mechanism of action/ may be based on ability of chloroquine to bind and alter the properties of DNA. Chloroquine also is taken up into the acidic food vacuoles of the parasite in the erythrocyte. It increases the pH of the acid vesicles, interfering with vesicle functions and possibly inhibiting phospholipid metabolism. In suppressive treatment, chloroquine inhibits the erythrocytic stage of development of plasmodia. In acute attacks of malaria, chloroquine interrupts erythrocytic schizogony of the parasite. its ability to concentrate in parasitized erythrocytes may account for its selective toxicity against the erythrocytic stages of plasmodial infection., Antirheumatic-Chloroquine is though to act as a mild immunosuppressant, inhibiting the production of rheumatoid factor and acute phase reactants. It also accumulates in white blood cells, stabilizing lysosomal membranes and inhibiting the activity of many enzymes, including collagenase and the proteases that cause cartilage breakdown. |
Source
|
| Record name | Chloroquine | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00608 | |
| 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 | CHLOROQUINE | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3029 | |
| 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 |
WHITE TO SLIGHTLY YELLOW, CRYSTALLINE POWDER, Colorless crystals | |
CAS No. |
54-05-7 |
Source
|
| Record name | Chloroquine | |
| Source | CAS Common Chemistry | |
| URL | https://commonchemistry.cas.org/detail?cas_rn=54-05-7 | |
| 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 | Chloroquine [USP:INN:BAN] | |
| Source | ChemIDplus | |
| URL | https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000054057 | |
| 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 | Chloroquine | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00608 | |
| 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 | chloroquine | |
| Source | DTP/NCI | |
| URL | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=187208 | |
| Description | The NCI Development Therapeutics Program (DTP) provides services and resources to the academic and private-sector research communities worldwide to facilitate the discovery and development of new cancer therapeutic agents. | |
| Explanation | Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source. | |
| Record name | Chloroquine | |
| Source | EPA DSSTox | |
| URL | https://comptox.epa.gov/dashboard/DTXSID2040446 | |
| Description | DSSTox provides a high quality public chemistry resource for supporting improved predictive toxicology. | |
| Record name | Chloroquine | |
| Source | European Chemicals Agency (ECHA) | |
| URL | https://echa.europa.eu/substance-information/-/substanceinfo/100.000.175 | |
| 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 | CHLOROQUINE | |
| Source | FDA Global Substance Registration System (GSRS) | |
| URL | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/886U3H6UFF | |
| 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 | CHLOROQUINE | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3029 | |
| 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 | Chloroquine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014746 | |
| 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 |
87-89.5, 87 °C, 289 °C |
Source
|
| Record name | Chloroquine | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00608 | |
| 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 | CHLOROQUINE | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3029 | |
| 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 | Chloroquine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014746 | |
| 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. | |
Synthesis routes and methods I
Procedure details
Synthesis routes and methods II
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Retrosynthesis Analysis
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