N-cyclohexyl-N-methyl-4-[(2-oxo-1,2-dihydroquinolin-6-yl)oxy]butanamide

• ChemBase编号: 105642
• 分子式: C20H26N2O3
• 平均质量: 342.43204
• 单一同位素质量: 342.1943427
• SMILES: CN(C1CCCCC1)C(=O)CCCOc1cc2c([nH]c(=O)cc2)cc1
• Canonical SMILES: O=C(N(C1CCCCC1)C)CCCOc1ccc2c(c1)ccc(=O)[nH]2
• InChI: InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)
• InChIKey: UIAYVIIHMORPSJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-N-methyl-4-[(2-oxo-1,2-dihydroquinolin-6-yl)oxy]butanamide
• IUPAC传统名: N-cyclohexyl-N-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
• 别名: 6-[3-(N-Cyclohexyl-N-methylcarbamoyl)propoxy]quinolin-2[1H]-one; OPC 3689; Cilostamide; N-Cyclohexyl-N-methyl-4-(1,2-dihydro-2-oxo-6-quinolyloxy)butyramide; CILOSTAMIDE

登记号

• CAS号: 68550-75-4
• MDL号: MFCD00673958
• PubChem SID: 24278337; 162093847
• PubChem CID: 2753

理论计算性质

• Acid pKa: 14.516282
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.8828053
• LogD (pH = 7.4): 2.8828082
• Log P: 2.8828084
• 摩尔折射率: 99.9112 cm^3
• 极化性: 37.563183 Å^3
• 极化表面积: 58.64 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

• 相关基因信息: human ... PDE3A(5139), PDE3B(5140), PDE5A(8654), PDE7A(5150)rat ... Pde2a(81743), Pde4a(25638)

详细说明

MP Biomedicals - 02193635

Inhibitor of cGMP-inhibited phosphodiesterase.

Sigma Aldrich - C7971

Biochem/physiol Actions
Selective inhibitor of PDE3 (cGMP-inhibited phosphodiesterase); IC50 = 70 ± 9 nM. This inhibitory effect increases intracellular cAMP and inhibits platelet aggregation.1