N-(2-aminoethyl)isoquinoline-5-sulfonamide dihydrochloride

• ChemBase编号: 105114
• 分子式: C11H15Cl2N3O2S
• 平均质量: 324.2267
• 单一同位素质量: 323.0262031
• SMILES: Cl.Cl.NCCNS(=O)(=O)c1cccc2cnccc12
• Canonical SMILES: NCCNS(=O)(=O)c1cccc2c1ccnc2.Cl.Cl
• InChI: InChI=1S/C11H13N3O2S.2ClH/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11;;/h1-4,6,8,14H,5,7,12H2;2*1H
• InChIKey: HBLCYSFLYMHCBM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-aminoethyl)isoquinoline-5-sulfonamide dihydrochloride
• IUPAC传统名: N-(2-aminoethyl)isoquinoline-5-sulfonamide dihydrochloride
• 别名: N-(2-Aminoethyl)-5-isoquinolinesulfonamide hydrochloride; H-9 dihydrochloride; H-9; N-(2-AMINOETHYL)-5-ISOQUINOLINESULFONAMIDE DIHYDROCHLORIDE

登记号

• CAS号: 84468-17-7
• MDL号: MFCD00069286
• PubChem SID: 162091942
• PubChem CID: 11957465

理论计算性质

• Acid pKa: 10.0892
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -3.160425
• LogD (pH = 7.4): -1.9382693
• Log P: -0.512082
• 摩尔折射率: 65.3557 cm^3
• 极化性: 27.421032 Å^3
• 极化表面积: 85.08 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: 0°C
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 99%

详细说明

MP Biomedicals - 02158859

Dihydrochloride
Purity: 99%
Excellent for chromatographic purification of protein kinases. Protein kinase inhibitor.

Sigma Aldrich - H123

Biochem/physiol Actions
Protein kinase inhibitor effective against protein kinase c and cAMP- and cGMP-dependent protein kinases.
Application
Useful as an affinithy ligand for purification of protein kinases, which can be selectively eluted with increasing concentrations of L-arginine.1

参考文献

• Hidaka, H., et al., Biochemistry , 23 : 5036 (1984).
• Inagaki, M., et al., J. Biol. Chem. , 260 : 2922 (1985).
• Wolf, M., et al., ibid. , 260 : 15718 (1985).