3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase编号: 105790
• 分子式: C27H26N4O2
• 平均质量: 438.52094
• 单一同位素质量: 438.20557609
• SMILES: CN1CCCC1CCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2
• Canonical SMILES: CN1CCCC1CCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C27H26N4O2/c1-30-13-6-7-17(30)12-14-31-16-21(19-9-3-5-11-23(19)31)25-24(26(32)29-27(25)33)20-15-28-22-10-4-2-8-18(20)22/h2-5,8-11,15-17,28H,6-7,12-14H2,1H3,(H,29,32,33)
• InChIKey: LBFDERUQORUFIN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC传统名: 3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl}-1H-pyrrole-2,5-dione
• 别名: 2-(1-[2-(1-Methylpyrrolidino)ethyl]-1H-indol-3-yl-3-(1H-indol-3-yl)maleimide; BISINDOLYLMALEIMIDE II; Bisindolylmaleimide II

登记号

• CAS号: 133052-90-1
• MDL号: MFCD00236430
• PubChem SID: 162093856
• PubChem CID: 2397

理论计算性质

• LogD (pH = 7.4): 1.0585474
• Log P: 2.8750532
• 摩尔折射率: 129.421 cm^3
• 极化性: 51.821014 Å^3
• 极化表面积: 70.13 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• Acid pKa: 9.553143
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.200358

分子性质

理化性质

• 溶解度: DMSO: soluble; ethanol: soluble
• 外观: powder

安全信息

• 保存条件: 2-8°C
• 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: -20°C

产品相关信息

• 纯度: ≥97% (Mixture of 2 isomers); 95%
• 运输包装: dry ice
• Empirical Formula (Hill Notation): C27H26N4O2

详细说明

MP Biomedicals - 02194139

Purity: 95%
Potently and selectively inhibits Protein Kinase C.

Sigma Aldrich - B3056

Biochem/physiol Actions
Inhibitor of protein kinase C.

参考文献

• Toullec, D., et al., J. Biol. Chem. , 266 : 15771, (1991).