CAS 76824-35-6|CAS 877617-45-3|Rubacina|Dinul|Pepzan|Sedanium-R|Fanox|H2 Bloc|Nulcerin|Gaster|Pepdul|Renapepsa|Panalba|Famonit|Amfamox|Famotep|Ulfagel|Pepdine|Novo-Famotidine|Ulfinol|Famos|Pepcid AC...

基本信息

化学结构

分子式

C₈H₁₅N₇O₂S₃

分子量

337.4454

精确质量

337.04493576

电荷

InChI

InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)

InChIKey

XUFQPHANEAPEMJ-UHFFFAOYSA-N

Canonic Smiles

NC(=Nc1scc(n1)CSCCC(=NS(=O)(=O)N)N)N

Isomeric Smiles

S(CC/C(=N/S(=O)(=O)N)/N)Cc1nc(sc1)N=C(N)N

计算属性

JChem

LogD (pH = 7.4)

-2.67

LogD (pH = 5.5)

-3.41

Log P

-1.95

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

8.38

极化表面积

175.83

极化性

31.66

摩尔折射率

80.46

LOG S

-1.81

数据来源

名称和标识

商标名

NulcerinPanalbaFamotepPepcidin RapitabDipsinSedanium-RGastrodominaFibonelMosulGastridinPepdulMensomaNulceranFamoAmfamoxQuamtelGasterUlgarineGastrionUlfagelRubacinaNovo-FamotidineEvatinInviganNevofamApogastineFadinFadynDinulPepzanIngastriBestidineH2 BlocConfobosPepcid ACDispromilPepdineGanorUlfinolQuamatelPepdifFamtacFamotinFanoxNu-FamotidineMylanta ARDispronilBrolinPepcid RPDFamulcerHuberdinaFamovaneFamonitDigervinFamosTipodexGastridanUlfamidLogosCronolRenapepsaTairalAntodineFanobelFamodinFagastineFluxidDuovelCuantinRogastiFarmotexGastropenSigafamVagostalBlocacidPurifamNotidinFamoxalSupertidineApo-FamotidineMotiaxWhitidinDibrit 40LecedilFamodilHacipTopcidPepcidMidefamFamodarTaminGastroGastrosidinFanosinFamowalUlcofamFamosanFamocidFamogardFamodineMucloxPepfaminFudoneNeocidineDuraterPeptifamPepcidinFerotinePepcidinePeptanCepalPeptidinUlcepraxFamopsinUlfamUlcatifWeimokPepcidinaGastrofamFamoxFadineRestadinYamarinFamotal

别名

FamotidineFamotidinum [Latin]Famotidina [Spanish]N-[(1S)-1-(Aminocarbonyl)-4-[(2-fluoro-1-iminoethyl)amino]butyl]benzamidePepcidacFamodilPepcidinePepdulF-AmidineAmifatidineMotiaxGasterFamotidineGanorGastridinPepdinePepcid3-(((2-((Aminoiminomethyl)amino)-4-thiazolyl)methyl)thio)-N-(aminosulfonyl)propanimidamide(1-Amino-3-(((2-((diaminomethylene)amino)-4-thiazolyl)methyl)thio)propylidene)sulfamidefamotidine3-(((2-((Diaminomethylene)amino)-4-thiazolyl)methyl)thio)-N(sup 2)-sulfamoylpropionamidineN-Sulfamoyl-3-((2-guanidinothiazol-4-yl)methylthio)propionamide

IUPAC标准名

3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoylpropanimidamide (Z)-3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoylpropimidamide

IUPAC传统名

famotidine brolin (Z)-3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoylpropimidamide pepcid

国际非专利药品(INN)

famotidinefamotidinafamotidinum

名称和标识

数据登录号

化合物性质

理化性质

疏水性(logP)

-2.1

溶解度

1.1 mg/mL

安全信息

MSDS下载

下载链接

产品相关信息

质检报告

下载链接

Suggested beneficial effect in treatment of schizophrenia.

Used in treatment of gastric and duodenal ulcers, gastro-oesophageal reflux disease and Zollinger-Ellison syndrome.

Antiviral agent

药理学性质

Histamine H 2 receptor antagonist

Weak pepsin inhibitor

Gastric secretion inhibitor

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

DrugBank

DB00927

Drug Groups

approved

Description

A competitive histamine H2-receptor antagonist. Its main pharmacodynamic effect is the inhibition of gastric secretion. [PubChem]

Indication

For the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD).

Pharmacology

Famotidine, a competitive histamine H₂-receptor antagonist, is used to treat gastrointestinal disorders such as gastric or duodenal ulcer, gastroesophageal reflux disease, and pathological hypersecretory conditions. Famotidine inhibits many of the isoenzymes of the hepatic CYP450 enzyme system. Other actions of Famotidine include an increase in gastric bacterial flora such as nitrate-reducing organisms.

Toxicity

Intravenous, mouse: LD₅₀ = 244.4mg/kg; Oral, mouse: LD₅₀ = 4686 mg/kg. Symptoms of overdose include emesis, restlessness, pallor of mucous membranes or redness of mouth and ears, hypotension, tachycardia and collapse.

Affected Organisms

Humans and other mammals

Biotransformation

Hepatic.

Absorption

The bioavailability of oral doses is 40-45%.

Half Life

2.5-3.5 hours

Protein Binding

15-20%

Elimination

Renal clearance is 250-450 mL/min, indicating some tubular excretion.

Clearance

* renal cl=250-450 mL/min

External Links

• [Wikipedia]

• [RxList]

• [PDRhealth]

• [Drugs.com]

TRC

F101250

An inhibitor of Peptidyl arginine deiminase 4 (PAD4) activity with an IC50 value of 21.6 μM in an in vitro activity assay. It irreversibly inactivates (kinact/KI = 3,000 M-1min-1) PAD4 by covalently modifying an active site cysteine that is important for

描述信息

参考文献

PubChem文献

数据源提供

• Jones, J.E. et al.: Curr. Opin. Drug Discov. Dev., 12, 616 (2009)

• Luo, Y. et al.: Biochemistry, 45, 11727 (2009)

• Knuckley, B. et al.: Biochemistry, 49, 1 (2009)

• Slack, J.L. et al.: Cell. Mol. Life Sci.,

• Hill, J.A. et al.: J. Immunol., 171, 538 (2009)

• Katsura, Y. et al., Chem. Pharm. Bull., 1992, 40, 2432, (analogues, activity)

• Oyewumi, L.K. et al., J. Psychiatry Neurosci., 1994, 19, 145; 20, 239, (use)

• Ger. Pat., 1980, Yamanouchi, 3 008 056; CA, 94, 156916e, (synth, pharmacol)

• Langtry, H.D. et al., Drugs, 1989, 38, 551, (rev)

• Wanwimolruk, S. et al., J. Chromatogr., 1991, 572, 227, (hplc)

• Negwer, M., Organic-Chemical Drugs and their Synonyms, 7th edn., Akademie-Verlag, 1994, 1216, (synonyms)

• Imai, Y. et al., Biomed. Chromatogr., 1992, 6, 222, (hplc)

• Martindale, The Extra Pharmacopoeia, 32nd edn., Pharmaceutical Press, 1999, 1192

• Takagi, T. et al., Arch. Int. Pharmacodyn. Ther., 1982, 256, 49, (pharmacol)

• J. Int. Med. Res., Suppl. 1, 1989, 17, 1A, (rev)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, FAB500

• Golic, L. et al., Acta Cryst. C, 1989, 45, 1381, (cryst struct)

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

商标名

别名

IUPAC标准名

3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoylpropanimidamide (Z)-3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoylpropimidamide

IUPAC传统名

famotidine brolin (Z)-3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoylpropimidamide pepcid

国际非专利药品(INN)

famotidinefamotidinafamotidinum

描述信息

DrugBank

DB00927

Drug Groups

approved

Description

A competitive histamine H2-receptor antagonist. Its main pharmacodynamic effect is the inhibition of gastric secretion. [PubChem]

Indication

For the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD).

Pharmacology

Toxicity

Affected Organisms

Humans and other mammals

Biotransformation

Hepatic.

Absorption

The bioavailability of oral doses is 40-45%.

Half Life

2.5-3.5 hours

Protein Binding

15-20%

Elimination

Renal clearance is 250-450 mL/min, indicating some tubular excretion.

Clearance

* renal cl=250-450 mL/min

External Links

• [Wikipedia]

• [RxList]

• [PDRhealth]

• [Drugs.com]

TRC

F101250

参考文献

PubChem文献

数据源提供

• Jones, J.E. et al.: Curr. Opin. Drug Discov. Dev., 12, 616 (2009)

• Luo, Y. et al.: Biochemistry, 45, 11727 (2009)

• Knuckley, B. et al.: Biochemistry, 49, 1 (2009)

• Slack, J.L. et al.: Cell. Mol. Life Sci.,

• Hill, J.A. et al.: J. Immunol., 171, 538 (2009)

• Katsura, Y. et al., Chem. Pharm. Bull., 1992, 40, 2432, (analogues, activity)

• Oyewumi, L.K. et al., J. Psychiatry Neurosci., 1994, 19, 145; 20, 239, (use)

• Ger. Pat., 1980, Yamanouchi, 3 008 056; CA, 94, 156916e, (synth, pharmacol)

• Langtry, H.D. et al., Drugs, 1989, 38, 551, (rev)

• Wanwimolruk, S. et al., J. Chromatogr., 1991, 572, 227, (hplc)

• Negwer, M., Organic-Chemical Drugs and their Synonyms, 7th edn., Akademie-Verlag, 1994, 1216, (synonyms)

• Imai, Y. et al., Biomed. Chromatogr., 1992, 6, 222, (hplc)

• Martindale, The Extra Pharmacopoeia, 32nd edn., Pharmaceutical Press, 1999, 1192

• Takagi, T. et al., Arch. Int. Pharmacodyn. Ther., 1982, 256, 49, (pharmacol)

• J. Int. Med. Res., Suppl. 1, 1989, 17, 1A, (rev)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, FAB500

• Golic, L. et al., Acta Cryst. C, 1989, 45, 1381, (cryst struct)

生物活性

PubChem BioAssay

化合物性质

理化性质

疏水性(logP)

-2.1

溶解度

1.1 mg/mL

安全信息

MSDS下载

下载链接

产品相关信息

质检报告

下载链接

Suggested beneficial effect in treatment of schizophrenia.

Used in treatment of gastric and duodenal ulcers, gastro-oesophageal reflux disease and Zollinger-Ellison syndrome.

Antiviral agent

药理学性质

Histamine H 2 receptor antagonist

Weak pepsin inhibitor

Gastric secretion inhibitor

化合物信息

ID:803