2-[8-(benzyloxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile

• ChemBase编号: 154166
• 分子式: C17H15N3O
• 平均质量: 277.3205
• 单一同位素质量: 277.12151212
• SMILES: Cc1c(n2cccc(c2n1)OCc1ccccc1)CC#N
• Canonical SMILES: N#CCc1c(C)nc2n1cccc2OCc1ccccc1
• InChI: InChI=1S/C17H15N3O/c1-13-15(9-10-18)20-11-5-8-16(17(20)19-13)21-12-14-6-3-2-4-7-14/h2-8,11H,9,12H2,1H3
• InChIKey: PYKJFEPAUKAXNN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[8-(benzyloxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
• IUPAC传统名: 2-[8-(benzyloxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
• 别名: 2-methyl-8-(phenylmethoxy)imidazo[1,2-a]pyridine-3-acetonitrile; SCH-28080

登记号

• CAS号: 76081-98-6
• MDL号: MFCD00834620
• PubChem SID: 162248305; 24278810
• PubChem CID: 108137

理论计算性质

• Acid pKa: 13.060046
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.8930109
• LogD (pH = 7.4): 2.0705664
• Log P: 2.0734198
• 摩尔折射率: 81.7681 cm^3
• 极化性: 30.684528 Å^3
• 极化表面积: 50.32 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO: soluble >10 mg/mL; H2O: insoluble
• 外观: white to light tan solid

安全信息

• 保存条件: desiccated
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C17H15N3O

详细说明

Sigma Aldrich - S4443

Biochem/physiol Actions
SCH-28080 is a potent inhibitor of gastric H+ and K+-ATPase. The novel antiulcer agents, SCH-28080 and SCH-32651 were examined for their ability to inhibit the H+K+ ATPase enzyme activity in a preparation of microsomal membranes from rabbit fundic mucosa. SCH- 28080 inhibited the isolated enzyme activity with a potency similar to omeprazole, IC50s of 2.5 and 4.0 μM respectively. SCH 32651 was less potent exhibiting an IC50 of 200.0 μM. Both compounds may therefore exert their antisecretory activity via a direct inhibition of the parietal cell H+K+ ATPase.