5-[(2-methylpiperazin-1-yl)sulfonyl]isoquinoline dihydrochloride

• ChemBase编号: 105158
• 分子式: C14H19Cl2N3O2S
• 平均质量: 364.29056
• 单一同位素质量: 363.05750322
• SMILES: Cl.Cl.CC1CNCCN1S(=O)(=O)c1cccc2cnccc12
• Canonical SMILES: CC1CNCCN1S(=O)(=O)c1cccc2c1ccnc2.Cl.Cl
• InChI: InChI=1S/C14H17N3O2S.2ClH/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14;;/h2-6,10-11,16H,7-9H2,1H3;2*1H
• InChIKey: OARGPFMFRLLKPF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-[(2-methylpiperazin-1-yl)sulfonyl]isoquinoline dihydrochloride
• IUPAC传统名: 5-(2-methylpiperazin-1-ylsulfonyl)isoquinoline dihydrochloride
• 别名: H-7; 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE DIHYDROCHLORIDE; 1-(5-Isoquinolinylsulfonyl)-2-methylpiperazine dihydrochloride; Isoquinoline-5-sulfonic 2-methyl-1-piperazide dihydrochloride; H-7 dihydrochloride; 1-(5-Isoquinolinylsulfonyl)-2-methyl-piperazine Dihydrochloride; 5-[(2-Methyl-1-piperazinyl)sulfonyl]isoquinoline Hydrochloride; H 7 Dihydrochloride

登记号

• CAS号: 108930-17-2
• MDL号: MFCD00036961
• Beilstein号: 5840763
• PubChem SID: 24278496; 162093315
• PubChem CID: 73332

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.1424506
• LogD (pH = 7.4): 0.4125741
• Log P: 0.6790797
• 摩尔折射率: 77.4768 cm^3
• 极化性: 32.218266 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: DMSO; H2O: soluble20 mg/mL; Water
• 外观: White to Off-White Solid
• 熔点: 219-222°C

安全信息

• 保存条件: 0°C, Protect from light; -20°C Freezer
• 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: 2-8°C

药理学性质

• 相关基因信息: human ... PRKCA(5578), PRKCB(5579), PRKCD(5580), PRKCE(5581), PRKCG(5582), PRKCH(5583), PRKCI(5584)

产品相关信息

• 纯度: ≥98% (HPLC); 99%

详细说明

MP Biomedicals - 02158940

Dihydrochloride
Purity: 99%
Inhibitor of PKA, PKG, MLCK, and protein kinase C.

Sigma Aldrich - I7016

Biochem/physiol Actions
Inhibitor of cyclic nucleotide dependent protein kinase (PKA) and protein kinase C.
Caution
Light sensitive

Toronto Research Chemicals - I885000

A selective inhibitor of protein kinase C or cyclic-nucleotide-dependent protein kinases.

参考文献

• Hidaka, H., et al., Biochemistry , 23 : 5036 (1984).
• Hidaka, H. and Kawamoto, S.: Biochem. and Biophys. Res. Comm., 125, 1, 258 (1984)