5-(1,4-diazepane-1-sulfonyl)isoquinoline hydrochloride

• ChemBase编号: 72752
• 分子式: C14H18ClN3O2S
• 平均质量: 327.82962
• 单一同位素质量: 327.08082551
• SMILES: c1c2c(c(cc1)S(=O)(=O)N1CCNCCC1)ccnc2.Cl
• Canonical SMILES: O=S(=O)(c1cccc2c1ccnc2)N1CCNCCC1.Cl
• InChI: InChI=1S/C14H17N3O2S.ClH/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14;/h1,3-5,7,11,15H,2,6,8-10H2;1H
• InChIKey: LFVPBERIVUNMGV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(1,4-diazepane-1-sulfonyl)isoquinoline hydrochloride
• IUPAC传统名: fasudil hydrochloride
• 别名: 盐酸法舒地尔; HA-1077; Fasudil HCl; Fasudil hydrochloride

登记号

• CAS号: 105628-07-7
• PubChem SID: 162037673
• PubChem CID: 163751

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.1411922
• LogD (pH = 7.4): -0.4039731
• Log P: 0.32246444
• 摩尔折射率: 77.9234 cm^3
• 极化性: 32.218292 Å^3
• 极化表面积: 62.3 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C

药理学性质

• 作用靶点: ROCK

产品相关信息

• 成盐信息: hydrochloride

详细说明

Selleck Chemicals - S1573

Research Area: Cancer
Biological Activity:
Fasudil HCl is cyclic nucleotide-dependent protein kinase inhibitor and Rho-associated kinase inhibitor with an IC50 of 10.7 μM. It is also a Ca2+ antagonist and vasodilator. It also inhibits proliferation of vascular smooth muscle cells. [1]References on Fasudil HCl (HA-1077)[1] Acta Neurochir Suppl., 2001, 77:201-4.

参考文献

• Shibuya M et al. Acta Neurochir Suppl. 2001;77:201