Cimetidine
Descripción general
Descripción
La cimetidina es un antagonista del receptor H2 de la histamina que inhibe la producción de ácido estomacal. Se utiliza principalmente para tratar afecciones como acidez estomacal, úlceras pépticas y enfermedad por reflujo gastroesofágico (ERGE) . La cimetidina se desarrolló en 1971 y entró en uso comercial en 1977 .
Mecanismo De Acción
La cimetidina ejerce sus efectos inhibiendo competitivamente la acción de la histamina en los receptores H2 de la histamina en la membrana basolateral de las células parietales gástricas . Esta inhibición reduce la secreción de ácido gástrico, el volumen gástrico y la acidez . La cimetidina también bloquea la actividad de las enzimas del citocromo P450, lo que puede explicar su uso en la terapia neoadyuvante .
Análisis Bioquímico
Biochemical Properties
Cimetidine acts as a specific competitive histamine H2-receptor antagonist . It interacts with histamine H2-receptors, blocking their function . This interaction plays a crucial role in its biochemical properties.
Cellular Effects
This compound has a potent inhibitory effect on histamine-stimulated gastric acid secretion in rats and dogs . It influences cell function by blocking histamine H2-receptors in the gastric mucosa, thereby inhibiting gastric acid secretion .
Molecular Mechanism
The molecular mechanism of this compound involves its binding to histamine H2-receptors, acting as a competitive antagonist . This binding inhibits the function of these receptors, leading to a decrease in gastric acid secretion .
Temporal Effects in Laboratory Settings
In laboratory settings, this compound shows consistent inhibitory effects on histamine-stimulated gastric acid secretion over time . Its stability and long-term effects on cellular function have been observed in in vitro and in vivo studies .
Dosage Effects in Animal Models
The effects of this compound vary with different dosages in animal models . At therapeutic doses, it effectively inhibits gastric acid secretion, while at high doses, no additional therapeutic effects have been observed .
Metabolic Pathways
This compound is involved in metabolic pathways related to the histamine H2-receptor . It interacts with this receptor, influencing the metabolic flux of gastric acid secretion .
Transport and Distribution
This compound is distributed within cells and tissues via systemic circulation . It is transported to the gastric mucosa where it interacts with histamine H2-receptors .
Subcellular Localization
The subcellular localization of this compound is primarily at the cell membrane where histamine H2-receptors are located . Its activity is directed towards these receptors, inhibiting their function and thereby reducing gastric acid secretion .
Métodos De Preparación
Rutas sintéticas y condiciones de reacción: La cimetidina se puede sintetizar a través de varios métodos. Un método común implica convertir (5-metil-1H-imidazol-4-il) metanol en éster de nitrato, que luego reacciona con éter de N-ciano-N'-metil-N'-mercaptoetilguanidina para producir cimetidina . Otro método implica condensar 2-(4-metilimidazol-4-il) metiltioetilamina clorhidrato con disulfuro de carbono en presencia de una base y un reactivo de desulfuración para formar un intermedio, que luego se hace reaccionar con monometilamina y cianamida para producir cimetidina .
Métodos de producción industrial: La producción industrial de cimetidina a menudo se centra en optimizar el rendimiento y minimizar el impacto ambiental. Por ejemplo, algunos métodos evitan generar metanotiol volátil, que es dañino para el medio ambiente .
Análisis De Reacciones Químicas
Tipos de reacciones: La cimetidina se somete a varias reacciones químicas, incluida la oxidación, la reducción y la sustitución. Se sabe que inhibe muchas isoenzimas del sistema enzimático citocromo P450 hepático .
Reactivos y condiciones comunes: Los reactivos comunes utilizados en la síntesis de cimetidina incluyen ésteres de nitrato, disulfuro de carbono, monometilamina y cianamida . Las condiciones de reacción típicamente implican temperaturas suaves y la presencia de reactivos de desulfuración para garantizar un alto rendimiento y productos secundarios mínimos .
Productos principales formados: Los principales productos formados a partir de las reacciones que involucran cimetidina incluyen cimetidina sulfóxido e hidroxicimetidina .
Aplicaciones Científicas De Investigación
La cimetidina tiene una amplia gama de aplicaciones de investigación científica. En medicina, se utiliza para controlar afecciones como la ERGE, la enfermedad de úlcera péptica y la indigestión . También tiene una posible actividad anticancerígena al interferir con la inmunomodulación mediada por la histamina . En química, la cimetidina se utiliza para estudiar la cinética de reacción y la fotoquímica . Además, se ha explorado por sus propiedades antiandrogénicas en el tratamiento de afecciones como el hirsutismo y la alopecia androgenética .
Comparación Con Compuestos Similares
La cimetidina a menudo se compara con otros antagonistas del receptor H2 como la ranitidina e inhibidores de la bomba de protones como el omeprazol y el pantoprazol . Si bien todos estos compuestos reducen la secreción de ácido gástrico, la cimetidina es única en su capacidad para inhibir las enzimas del citocromo P450 . Esta propiedad la distingue de otros compuestos similares, que pueden tener menos interacciones medicamentosas y efectos adversos .
Lista de compuestos similares:- Ranitidina
- Omeprazol
- Pantoprazol
- Famotidina
Propiedades
IUPAC Name |
1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine |
Source
|
|---|---|---|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
InChI |
InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
InChI Key |
AQIXAKUUQRKLND-UHFFFAOYSA-N |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Canonical SMILES |
CC1=C(N=CN1)CSCCNC(=NC)NC#N |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Molecular Formula |
C10H16N6S |
Source
|
| Record name | CIMETIDINE | |
| Source | CAMEO Chemicals | |
| URL | https://cameochemicals.noaa.gov/chemical/20034 | |
| Description | CAMEO Chemicals is a chemical database designed for people who are involved in hazardous material incident response and planning. CAMEO Chemicals contains a library with thousands of datasheets containing response-related information and recommendations for hazardous materials that are commonly transported, used, or stored in the United States. CAMEO Chemicals was developed by the National Oceanic and Atmospheric Administration's Office of Response and Restoration in partnership with the Environmental Protection Agency's Office of Emergency Management. | |
| Explanation | CAMEO Chemicals and all other CAMEO products are available at no charge to those organizations and individuals (recipients) responsible for the safe handling of chemicals. However, some of the chemical data itself is subject to the copyright restrictions of the companies or organizations that provided the data. | |
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
DSSTOX Substance ID |
DTXSID4020329 |
Source
|
| Record name | Cimetidine | |
| Source | EPA DSSTox | |
| URL | https://comptox.epa.gov/dashboard/DTXSID4020329 | |
| Description | DSSTox provides a high quality public chemistry resource for supporting improved predictive toxicology. | |
Molecular Weight |
252.34 g/mol |
Source
|
| Source | PubChem | |
| URL | https://pubchem.ncbi.nlm.nih.gov | |
| Description | Data deposited in or computed by PubChem | |
Physical Description |
Cimetidine appears as white crystals with a slight sulfur-mercaptan odor. (NTP, 1992), Solid |
Source
|
| Record name | CIMETIDINE | |
| Source | CAMEO Chemicals | |
| URL | https://cameochemicals.noaa.gov/chemical/20034 | |
| Description | CAMEO Chemicals is a chemical database designed for people who are involved in hazardous material incident response and planning. CAMEO Chemicals contains a library with thousands of datasheets containing response-related information and recommendations for hazardous materials that are commonly transported, used, or stored in the United States. CAMEO Chemicals was developed by the National Oceanic and Atmospheric Administration's Office of Response and Restoration in partnership with the Environmental Protection Agency's Office of Emergency Management. | |
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| Record name | Cimetidine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014644 | |
| 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 |
5 mg/mL at 68 °F (NTP, 1992), IN WATER AT 37 °C: 1.14%; SOLUBILITY INCR BY DIL HYDROCHLORIC ACID, Soluble in alcohol, 8.16e-01 g/L |
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| Record name | CIMETIDINE | |
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| Record name | Cimetidine | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00501 | |
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| Record name | CIMETIDINE | |
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| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3917 | |
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| Record name | Cimetidine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014644 | |
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Mechanism of Action |
Cimetidine binds to an H2-receptor located on the basolateral membrane of the gastric parietal cell, blocking histamine effects. This competitive inhibition results in reduced gastric acid secretion and a reduction in gastric volume and acidity., H2 antagonists inhibit gastric acid secretion elicited by histamine & other H2 agonists in a dose-dependent, competitive manner; the degree of inhibition parallels the concentration of the drug in plasma over a wide range. The H2 antagonists also inhibit acid secretion elicited by gastrin &, to a lesser extent, by muscarinic agonists. Importantly, these drugs inhibit basal (fasting) & nocturnal acid secretion & that stimulated by food, sham feeding, fundic distention, & various pharmacological agents; this property reflects the vital role of histamine in mediating the effects of diverse stimuli. The H2 antagonists reduce both the volume of gastric juice secreted & its H+ concentration. The output of pepsin, which is secreted by the chief cells of gastric glands (mainly under cholinergic control), generally falls in parallel with the reduction in volume of gastric juice. /H2 antagonists/, Cimetidine blocks H2-receptors, which in part are responsible for the inflammatory response, in the cutaneous blood vessels of humans., The effects of cimetidine, omeprazole and atropine sulfate on the healing of acetic acid-induced gastric ulcers in rats with limited food intake time (9:00-10:00 am and 5:00-6:00 pm) were evaluated 15 days after the acid injection. Oral repeated admin of cimetidine (25-100 mg/kg twice daily) or omeprazole (10-50 mg/kg once daily) dose dependently accelerated ulcer healing. ... A single oral admin of omeprazole (50 mg/kg) or cimetidine (100 mg/kg) resulted in potent and long-lasting anti-acid secretory and gastrin-releasing actions. The degree and duration of anti-acid secretion by atropine sulfate were equal to those of cimetidine, but the elevation of gastrin release by atropine sulfate was weak and temporary. These results indicate that the gastric ulcers of rats with a limited food intake time are useful for evaluating the healing effects of cimetidine and omeprazole on gastric ulcers. In addition, the effects of both drugs may be related to the incr gastrin release rather than to the reduced acid secretion., Both KB-5492, a new anti-ulcer agent, and cimetidine, admin po at 25-200 mg/kg, dose-dependently prevented cysteamine (400 mg/kg, sc)-induced duodenal ulcers in rats with ED50 values of 63 and 40 mg/kg, respectively. Anti-ulcer doses of cimetidine, but not KB-5492, inhibited gastric acid hypersecretion induced by cysteamine (400 mg/kg, sc). In contrast, anti-ulcer doses of KB-5492, but not cimetidine, incr duodenal HC03- secretion in normal anesthetized rats. These findings suggest that KB-5492 prevents cysteamine-induced duodenal ulcers by stimulating duodenal HC03- secretion, whereas cimetidine does so by inhibiting cysteamine-induced gastric acid hypersecretion. |
Source
|
| Record name | Cimetidine | |
| Source | DrugBank | |
| URL | https://www.drugbank.ca/drugs/DB00501 | |
| 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 | CIMETIDINE | |
| Source | Hazardous Substances Data Bank (HSDB) | |
| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3917 | |
| 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 | |
CAS No. |
51481-61-9 |
Source
|
| Record name | CIMETIDINE | |
| Source | CAMEO Chemicals | |
| URL | https://cameochemicals.noaa.gov/chemical/20034 | |
| Description | CAMEO Chemicals is a chemical database designed for people who are involved in hazardous material incident response and planning. CAMEO Chemicals contains a library with thousands of datasheets containing response-related information and recommendations for hazardous materials that are commonly transported, used, or stored in the United States. CAMEO Chemicals was developed by the National Oceanic and Atmospheric Administration's Office of Response and Restoration in partnership with the Environmental Protection Agency's Office of Emergency Management. | |
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| Record name | Cimetidine | |
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| Record name | Cimetidine [USAN:USP:INN:BAN:JAN] | |
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| Record name | Cimetidine | |
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| URL | https://www.drugbank.ca/drugs/DB00501 | |
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| Record name | cimetidine | |
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| Record name | Cimetidine | |
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| Record name | Cimetidine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014644 | |
| Description | The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. | |
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Melting Point |
284 to 290 °F (NTP, 1992), 141-143 °C, 142 °C |
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| Record name | CIMETIDINE | |
| Source | CAMEO Chemicals | |
| URL | https://cameochemicals.noaa.gov/chemical/20034 | |
| Description | CAMEO Chemicals is a chemical database designed for people who are involved in hazardous material incident response and planning. CAMEO Chemicals contains a library with thousands of datasheets containing response-related information and recommendations for hazardous materials that are commonly transported, used, or stored in the United States. CAMEO Chemicals was developed by the National Oceanic and Atmospheric Administration's Office of Response and Restoration in partnership with the Environmental Protection Agency's Office of Emergency Management. | |
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| Record name | Cimetidine | |
| Source | DrugBank | |
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| URL | https://pubchem.ncbi.nlm.nih.gov/source/hsdb/3917 | |
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| Record name | Cimetidine | |
| Source | Human Metabolome Database (HMDB) | |
| URL | http://www.hmdb.ca/metabolites/HMDB0014644 | |
| Description | The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. | |
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Retrosynthesis Analysis
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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
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