8-chloro-5-(piperazine-1-sulfonyl)isoquinoline

• ChemBase编号: 104027
• 分子式: C13H14ClN3O2S
• 平均质量: 311.78716
• 单一同位素质量: 311.04952538
• SMILES: Clc1ccc(c2ccncc12)S(=O)(=O)N1CCNCC1
• Canonical SMILES: Clc1ccc(c2c1cncc2)S(=O)(=O)N1CCNCC1
• InChI: InChI=1S/C13H14ClN3O2S/c14-12-1-2-13(10-3-4-16-9-11(10)12)20(18,19)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
• InChIKey: DIVCZQBJKQHGPC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-chloro-5-(piperazine-1-sulfonyl)isoquinoline
• IUPAC传统名: 8-chloro-5-(piperazine-1-sulfonyl)isoquinoline
• 别名: 8-Chloro-5-(1-piperazinylsulfonyl)isoquinoline Hydrochloride; 1-(8-Chloro-5-isoquinolinesulfonyl)piperazine Dihydrochloride; HA-156; 1-(8-CHLORO-5-ISOQUINOLINE-SULFONYL)PIPERAZINE

登记号

• CAS号: 355115-40-1
• PubChem SID: 162105858
• PubChem CID: 3653475

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.79578084
• LogD (pH = 7.4): 0.66795003
• Log P: 0.8665494
• 摩尔折射率: 77.8628 cm^3
• 极化性: 32.266644 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

理化性质

• 溶解度: Water
• 外观: Crystalline Solid
• 熔点: >240°C dec.

安全信息

• 保存条件: -20°C; -20°C Freezer

产品相关信息

• 纯度: >97%

详细说明

MP Biomedicals - 02154176

(HA-156) Crystalline Purity: >97% A Protein Kinase C inhibitor.

Toronto Research Chemicals - C367500

Inhibits both Ca2+ dependent myosin phosphorylation by MLC-Kinase and protein kinase C.

参考文献

• Hidaka, H., et al.: Molecular Pharm., 32, 7 (1987)