Nizax

HCID 3033637

データを補完しています。通常は 1 分以内に完了します

基本情報

CAS: 76963-41-2
標準SMILES: CN/C(=C\[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1
InChIKey: SGXXNSQHWDMGGP-IZZDOVSWSA-N
分子式: C12H21N5O2S2
平均分子量: 331.5 g/mol

概要

Nizatidine is a member of the class of 1,3-thiazoles having a dimethylaminomethyl substituent at position 2 and an alkylthiomethyl moiety at position 4. It has a role as a H2-receptor antagonist, a cholinergic drug and an anti-ulcer drug. It is an organic sulfide, a carboxamidine, a C-nitro compound, a member of 1,3-thiazoles and a tertiary amino compound.

名称と識別子

優先名称: Nizax
IUPAC: (E)-1-N'-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine

名称と別名

NizaxZanizalZE-101MFCD00865660ZL-101(E)-N-(2-(((2-((dimethylamino)methyl)thiazol-4-yl)methyl)thio)ethyl)-N'-methyl-2-nitroethene-1,1-diamineN-(2-(((2-((Dimethylamino)methyl)thiazol-4-yl)methyl)thio)ethyl)-N-methyl-2-nitroethene-1,1-diamineNCGC00016934-01C12H21N5O2S2CAS-76963-41-2(E)-N-(2-(((2-((dimethylamino)methyl)thiazol-4-yl)methyl)thio)ethyl)-N-methyl-2-nitroethene-1,1-diamine(E)-1-N'-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine

名称をさらに表示

dimethyl[(4-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amineN'-[2-[[[2-[(Dimethylamino)methyl]-4-thiazolyl]methyl]thio]ethyl]-N-methyl-2-nitro-1,1-ethenediamineSMR000466384Acinon (TN)Axid (TN)Nizatidine (Standard)Prestwick2_000921SCHEMBL769

データベース識別子

CAS: 76963-41-2
PubChem CID: 3033637
ChEBI: CHEBI:7601
Nikkaji: J32.887A

物性

構造計算による物性補完中

XLogP: 1.6
極性表面積: 140 Å²
水素結合供与体数: 2
水素結合受容体数: 8
回転可能結合数: 9
重原子数: 21
形式電荷: 0
複雑度: 349

実験および物理化学的性質

Drugs · 2 件

Pharmaceuticals -> Gastric and Ulcer Drugs

Pharmaceuticals -> Listed in ZINC15

LogP1.1

Solubility · 3 件

10-33mg/mL

3.86e-02 g/L

>49.7 [ug/mL] (The mean of the results at pH 7.4)

Melting Point · 2 件

130-132 °C

203 °C

Physical DescriptionSolid

Collision Cross Section · 3 件

168.4 Å² [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]

168 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

169.1 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

化学と産業

薬理情報

Protein Binding35%

Pharmacodynamics · 1 件

Nizatidine is a competitive, reversible inhibitor of histamine at the histamine H2-receptors, particularly those in the gastric parietal cells. By inhibiting the action of histamine on stomach cells, nizatidine reduces stomach acid production. Nizatidine had no demonstrable antiandrogenic action. Full-dose therapy for the problems treated by nizatidine lasts no longer than 8 weeks. It has been demonstrated that treatment with a reduced dose of nizatidine is effective as maintenance therapy following healing of active duodenal ulcers.

Mechanism of Action · 1 件

Nizatidine competes with histamine for binding at the H<sub>2</sub>-receptors on the gastric basolateral membrane of parietal cells. Competitive inhibition results in reduction of basal and nocturnal gastric acid secretions. The drug also decreases the gastric acid response to stimuli such as food, caffeine, insulin, betazole, or pentagastrin.

Biological Half-Life1-2 hours

Metabolism/Metabolites · 1 件

Hepatic. Less than 7% of an oral dose is metabolized as N2-monodes-methylnizatidine, an H2-receptor antagonist, which is the principal metabolite excreted in the urine. Other likely metabolites are the N2-oxide (less than 5% of the dose) and the S-oxide (less than 6% of the dose).

Absorption, Distribution and Excretion · 3 件

Rapid (bioavailability of nizatidine exceeds 70%)

0.8 to 1.5 L/kg

40-60 L/h