Pentamidine
Vue d'ensemble
Description
La pentamidine est un médicament antimicrobien principalement utilisé pour traiter la trypanosomiase africaine, la leishmaniose, les infections à Balamuthia, la babésiose et pour prévenir et traiter la pneumocystose chez les personnes ayant un système immunitaire affaibli . Elle appartient à la famille des médicaments diamidines aromatiques et est utilisée en médecine depuis 1937 . La this compound est disponible sous forme de médicament générique et figure sur la Liste des médicaments essentiels de l'Organisation mondiale de la santé .
Mécanisme D'action
Target of Action
Pentamidine is an antiprotozoal and antifungal agent . It is primarily used to treat diseases such as African trypanosomiasis, leishmaniasis, Balamuthia infections, babesiosis, and to prevent and treat pneumocystis pneumonia (PCP) in people with poor immune function . It has also been suggested that this compound preferentially targets the outer membrane of Gram-negative bacteria .
Mode of Action
It is thought that the drug interferes with nuclear metabolism, leading to the inhibition of the synthesis of DNA, RNA, phospholipids, and proteins . This interference with the cell’s normal functioning can lead to cell death, thus eliminating the infection .
Biochemical Pathways
This compound is believed to interfere with several biochemical pathways. It has been suggested that it binds nucleic acids, with the positively charged amidinium ions directing it towards the negatively charged phosphate backbone . Additionally, it has been shown to inhibit the PI3K/AKT signaling pathway, which plays a crucial role in cell proliferation, migration, and invasion .
Pharmacokinetics
This compound is completely absorbed when given intravenously or intramuscularly . When inhaled through a nebulizer, this compound accumulates in the bronchoalveolar fluid of the lungs at a higher concentration compared to injections . The elimination half-life of this compound is between 6.4 and 9.4 hours , and it can remain in the system for as long as 8 months after the first injection .
Result of Action
The result of this compound’s action is the inhibition of cell proliferation, migration, and invasion, particularly in the case of endometrial cancer cells . It also reduces the expression of MMP-2 and MMP-9, which are involved in the breakdown of extracellular matrix in normal physiological processes such as embryogenesis and tissue remodeling .
Action Environment
The action of this compound can be influenced by various environmental factors. For instance, the efficacy of this compound can be affected by the patient’s immune status, as it is often used to treat and prevent infections in people with compromised immune systems . Additionally, the method of administration (intravenous, intramuscular, or inhalation) can influence the drug’s distribution and concentration in the body .
Applications De Recherche Scientifique
Pentamidine has a wide range of scientific research applications:
Analyse Biochimique
Biochemical Properties
Pentamidine interacts with various biomolecules within the cell. It is thought to interfere with nuclear metabolism, inhibiting the synthesis of DNA, RNA, phospholipids, and proteins . This disruption of essential biochemical reactions is believed to contribute to its antifungal and antiprotozoal effects .
Cellular Effects
This compound has significant effects on various types of cells and cellular processes. It is known to cause diabetes mellitus, central nervous system damage, and other toxic effects . In addition, it has been found to reduce mitochondrial protein abundance and trigger progressive loss of kinetoplast DNA and disruption of mitochondrial membrane potential .
Molecular Mechanism
It is believed to exert its effects at the molecular level through binding interactions with biomolecules, enzyme inhibition or activation, and changes in gene expression . For instance, it has been found to inhibit mitosis and cytokinesis .
Temporal Effects in Laboratory Settings
Over time, this compound has been observed to have various effects in laboratory settings. For instance, it has been found to cause hypoglycemia and nephrotoxicity in up to 27% and 25% of treatment courses, respectively .
Dosage Effects in Animal Models
The effects of this compound vary with different dosages in animal models. For instance, it has been found to effectively decrease the burden of Chlamydia trachomatis upon local or systemic application in mice .
Metabolic Pathways
This compound is involved in various metabolic pathways. It is thought to change the metabolism of host cells, impairing chlamydia growth .
Transport and Distribution
This compound is transported and distributed within cells and tissues via various mechanisms. It has been found to be involved in this compound transport at the human and mouse blood-brain barrier (BBB) via the organic cation transporter 1 (OCT1) .
Subcellular Localization
This compound localizes in various subcellular compartments. It has been found to localize in parasite nuclei and kDNA, with greater intensity in the latter structure . Furthermore, it also concentrates in non-DNA-containing cytoplasmic organelles, possibly acidocalcisomes .
Méthodes De Préparation
Voies de synthèse et conditions de réaction : La pentamidine peut être synthétisée par un procédé en plusieurs étapes impliquant la réaction de la 4,4'-dihydroxybenzophénone avec le bromure de pentaméthylène pour former la 4,4'-bis(pentaméthylènedioxy)benzophénone. Cet intermédiaire est ensuite converti en 4,4'-bis(pentaméthylènedioxy)dibenzamidine par réaction avec du chlorure d'ammonium et du cyanure de sodium .
Méthodes de production industrielle : Dans les milieux industriels, la this compound est généralement préparée en reconstituant le médicament à l'aide d'eau pour injection. La solution reconstituée est ensuite diluée davantage avant l'administration. Pour l'infusion intraveineuse, le médicament est administré à l'aide d'un dispositif d'infusion contrôlé électroniquement sur une période de 60 à 120 minutes .
Analyse Des Réactions Chimiques
Types de réactions : La pentamidine subit diverses réactions chimiques, notamment des réactions de réduction et de substitution. Une réaction notable est sa réduction électrochimique, qui a été étudiée à l'aide de la voltampérométrie cyclique .
Réactifs et conditions courants :
Réduction : Dans un tampon phosphate de pH 8,5, la this compound produit une vague de réduction sensible à un potentiel de -1,56 V (par rapport à
Substitution : La this compound peut subir des réactions de substitution avec des nucléophiles, conduisant à la formation de divers dérivés.
Produits majeurs : Les produits majeurs formés à partir de ces réactions comprennent les formes réduites de la this compound et ses divers dérivés substitués .
4. Applications de la recherche scientifique
La this compound a un large éventail d'applications de recherche scientifique :
Médecine : La this compound est largement utilisée dans le traitement des maladies infectieuses telles que la trypanosomiase africaine, la leishmaniose et la pneumocystose.
5. Mécanisme d'action
Le mécanisme d'action exact de la this compound n'est pas entièrement compris. On pense qu'elle interfère avec le métabolisme nucléaire en inhibant la synthèse de l'ADN, de l'ARN, des phospholipides et des protéines . La this compound se lie aux acides nucléiques par ses ions amidinium chargés positivement, ce qui la dirige vers le squelette phosphate chargé négativement de l'ADN et de l'ARN . Cette interaction perturbe le fonctionnement normal des acides nucléiques, conduisant aux effets antimicrobiens du médicament .
Composés similaires :
Dapsone : Utilisé pour le traitement du dermite herpétiforme, de la lèpre et d'autres affections cutanées.
Sulfaméthoxazole/triméthoprime : Une association antibiotique utilisée pour traiter diverses infections bactériennes.
Comparaison : La this compound est unique en son genre par sa capacité à traiter un large éventail d'infections à protozoaires, notamment la trypanosomiase africaine et la leishmaniose, qui ne sont généralement pas traitées par la dapsone ou le sulfaméthoxazole/triméthoprime . De plus, le mécanisme d'action de la this compound, qui implique l'inhibition de la synthèse des acides nucléiques, la différencie des autres agents antimicrobiens .
Comparaison Avec Des Composés Similaires
Dapsone: Used for the treatment of dermatitis herpetiformis, leprosy, and other skin conditions.
Sulfamethoxazole/Trimethoprim: An antibiotic combination used to treat various bacterial infections.
Comparison: Pentamidine is unique in its ability to treat a wide range of protozoal infections, including African trypanosomiasis and leishmaniasis, which are not typically treated with dapsone or sulfamethoxazole/trimethoprim . Additionally, this compound’s mechanism of action, involving the inhibition of nucleic acid synthesis, sets it apart from other antimicrobial agents .
Propriétés
IUPAC Name |
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide |
Source
|
|---|---|---|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
InChI |
InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23) |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
InChI Key |
XDRYMKDFEDOLFX-UHFFFAOYSA-N |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Canonical SMILES |
C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Molecular Formula |
C19H24N4O2 |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
DSSTOX Substance ID |
DTXSID7023431 |
Source
|
| Record name | Pentamidine | |
| Source | EPA DSSTox | |
| URL | https://comptox.epa.gov/dashboard/DTXSID7023431 | |
| Description | DSSTox provides a high quality public chemistry resource for supporting improved predictive toxicology. | |
Molecular Weight |
340.4 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 | Pentamidine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014876 | |
| 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 |
Complete, Mol wt: 592.69. Hygroscopic, very bitter crystals, mp approx 180 °C. Slight butyric odor. Sol in water (approx 1 in 10 at 25 °C, approx 1 in 4 at 100 °C); sol in glycerol, more readily on warming; slightly sol in alcohol. Insol in ether, acetone, chloroform, liq petr. pH of a 5% w/v soln in water: 4.5 to 6.5. /Isethioante/, 2.36e-02 g/L |
Source
|
| Record name | Pentamidine | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00738 | |
| 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 | PENTAMIDINE | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/7474 | |
| 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 | Pentamidine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014876 | |
| 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 |
The mode of action of pentamidine is not fully understood. It is thought that the drug interferes with nuclear metabolism producing inhibition of the synthesis of DNA, RNA, phospholipids, and proteins., ... Up to now, it has been thought that therapeutic compounds causing QT prolongation are associated with direct block of the cardiac potassium channel human ether a-go-go-related gene (hERG), which encodes the alpha subunit of cardiac I(Kr) currents. /The authors/ show that pentamidine has no acute effects on currents produced by hERG, KvLQT1/mink, Kv4.3, or SCNA5. Cardiac calcium currents and the guinea pig cardiac action potential were also not affected. After overnight exposure, however, pentamidine reduced hERG currents and inhibited trafficking and maturation of hERG with IC(50) values of 5 to 8 uM similar to therapeutic concentrations. Surface expression determined in a chemiluminescence assay was reduced on exposure to 10, 30, and 100 uM pentamidine by about 30, 40, and 70%, respectively. These effects were specific for hERG since expression of hKv1.5, KvLQT1/minK, and Kv4.3 was not altered. In isolated guinea pig ventricular myocytes, 10 uM pentamidine prolonged action potential duration APD(90) from 374.3 or + or - 57.1 to 893.9 + or - 86.2 ms on overnight incubation. I(Kr) tail current density was reduced from 0.61 + or - 0.09 to 0.39 + or - 0.04 pA/pF. /The authors/ conclude that pentamidine prolongs the cardiac action potential by block of hERG trafficking and reduction of the number of functional hERG channels at the cell surface. /The authors/ propose that pentamidine, like arsenic trioxide, produces QT prolongation and torsades de pointes in patients by inhibition of hERG trafficking., ... Inhibition in vitro of trypanosomal mitochondrial topoisomerase II and plasma Ca+2, Mg+2-ATPase also has been reported ... Pentamidine promotes linearization of trypanosome kinetoplast DNA, consistent with its being a type II topoisomerase inhibitor ... The drug also inhibits ATP-dependent topoisomerases in extracts of Pneumocystis carinii ..., Not clearly defined; pentamidine may interfere with incorporation of nucleotides into RNA and DNA and inhibit oxidative phosphorylation and biosynthesis of DNA, RNA, protein, and phospholipid; may also interfere with folate transformation., ... The cytotoxic properties of pentamidine isethionate (2) towards the promastigotes of the protozoan parasite Leishmania infantum /was determined/. The leishmanicidal activity of 2 was 60 times higher after 72 hr of incubation than that of cisplatin. The pentamidine salt 2 induced a higher amount of programmed cell death (PCD) than cisplatin, which is associated with inhibition of DNA synthesis and cell-cycle arrest in the G2/M phase. Circular dichroism (CD) data indicate that binding of 2 to calf-thymus DNA (CT-DNA) induces conformational changes in the DNA double helix, consistent with a B-->A transition. Moreover, the interaction of 2 with ubiquitin led to a 6% increase in the beta-sheet content of the protein as observed by CD spectroscopy. Fluorescence-spectroscopy studies agreed with the CD data, showing that the pentamidine portion of 2 induces a significant decrease in the fluorescence of the Ub residues Phe4 and Phe45 located on the beta-cluster of the molecule, but not of Tyr59 on the alpha-cluster. These data indicate that pentamidine specifically modifies the beta-cluster, i.e., the 'basic face' of ubiquitin. ... /The/ results suggest that the biochemical mechanism of action of pentamidine may be a consequence of its dual binding to DNA and proteins., In this work pentamidine is shown to exhibit characteristics of a cationic uncoupler of oxidative phosphorylation in isolated rat liver mitochondria: it released respiratory control, enhanced the latent ATPase activity, and released the inhibition of State 3 respiration by oligomycin. Maximal stimulation of respiration and ATPase activity was observed at a concentration of pentamidine of 200-300 microM. Higher concentrations had an inhibitory effect on mitochondrial respiration. As it happens with other cationic uncouplers, the uncoupling effect of pentamidine required inorganic phosphate. Pentamidine-induced uncoupling of oxidative phosphorylation was accompanied by an efflux of Ca2+ from the mitochondria and partial collapse of the mitochondrial membrane potential. |
Source
|
| Record name | Pentamidine | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00738 | |
| 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. | |
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| Record name | PENTAMIDINE | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/7474 | |
| 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 |
Crystallizes as colorless plates from water | |
CAS No. |
100-33-4 |
Source
|
| Record name | Pentamidine | |
| Source | CAS Common Chemistry | |
| URL | https://commonchemistry.cas.org/detail?cas_rn=100-33-4 | |
| 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. | |
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| Record name | Pentamidine [INN:BAN:DCF] | |
| Source | ChemIDplus | |
| URL | https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000100334 | |
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| Record name | Pentamidine | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00738 | |
| 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. | |
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| Record name | Pentamidine | |
| Source | EPA DSSTox | |
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| Record name | Pentamidine | |
| Source | European Chemicals Agency (ECHA) | |
| URL | https://echa.europa.eu/substance-information/-/substanceinfo/100.002.583 | |
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| Source | FDA Global Substance Registration System (GSRS) | |
| URL | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/673LC5J4LQ | |
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| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/7474 | |
| 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 | Pentamidine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014876 | |
| 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 |
Decomposes at 186 °C, 186.0 °C (decomposes) |
Source
|
| Record name | Pentamidine | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00738 | |
| 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 | PENTAMIDINE | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/7474 | |
| 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 | Pentamidine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014876 | |
| 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
Procedure details
Retrosynthesis Analysis
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|---|---|
| Min. plausibility | 0.01 |
| Model | Template_relevance |
| Template Set | Pistachio/Bkms_metabolic/Pistachio_ringbreaker/Reaxys/Reaxys_biocatalysis |
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Veuillez noter que tous les articles et informations sur les produits présentés sur BenchChem sont destinés uniquement à des fins informatives. Les produits disponibles à l'achat sur BenchChem sont spécifiquement conçus pour des études in vitro, qui sont réalisées en dehors des organismes vivants. Les études in vitro, dérivées du terme latin "in verre", impliquent des expériences réalisées dans des environnements de laboratoire contrôlés à l'aide de cellules ou de tissus. Il est important de noter que ces produits ne sont pas classés comme médicaments et n'ont pas reçu l'approbation de la FDA pour la prévention, le traitement ou la guérison de toute condition médicale, affection ou maladie. Nous devons souligner que toute forme d'introduction corporelle de ces produits chez les humains ou les animaux est strictement interdite par la loi. Il est essentiel de respecter ces directives pour assurer la conformité aux normes légales et éthiques en matière de recherche et d'expérimentation.
![[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[[2-[2-[2-[[(2S)-1-[[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl]oxy]-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]acetyl]amino]propanoate](/img/structure/B1679208.png)
