dimethyl[(4-{[(2-{[(Z)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine

• ChemBase编号: 72817
• 分子式: C12H21N5O2S2
• 平均质量: 331.45744
• 单一同位素质量: 331.11366694
• SMILES: s1c(nc(c1)CSCCN/C(=C\[N+](=O)[O-])/NC)CN(C)C
• Canonical SMILES: CN/C(=C/[N+](=O)[O-])/NCCSCc1csc(n1)CN(C)C
• InChI: InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6-
• InChIKey: SGXXNSQHWDMGGP-WDZFZDKYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl[(4-{[(2-{[(Z)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine
• IUPAC传统名: dimethyl[(4-{[(2-{[(Z)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine
• 别名: Tazac; Axid; Axid AR; Nizatidine

登记号

• CAS号: 76963-41-2
• PubChem SID: 162037738
• PubChem CID: 5353831

理论计算性质

• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): -0.5839727
• LogD (pH = 7.4): 0.65984267
• Log P: 0.76301336
• 摩尔折射率: 96.8422 cm^3
• 极化性: 33.263428 Å^3
• 极化表面积: 86.01 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C

产品相关信息

• 成盐信息: Free Base

详细说明

Selleck Chemicals - S1890

Research Area: Metabolic Disease
Biological Activity:
Nizatidine is a histamine H2-receptor antagonist with and IC50 of 6.7 nM for AChE. [1] It inhibits stomach acid production, and commonly used in the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD). The relative anti-AChE potency was in the following order: neostigmine > nizatidine >cimetidine >> famotidine. The inhibition of AChE by nizatidine was noncompetitive, with a Ki value of 7.4 x 10 nM. Gastrointestinal (GI) motility was examined during the interdigestive state in dogs with chronically implanted force transducers. [2]

参考文献

• Ueki S et al. J Pharmacol Exp Ther. 1993 Jan;264