3-(5-(6-((2-(dimethylamino)ethyl)amino)pyrazin-2-yl)-1H-indol-3-yl)benzonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3-(5-(6-((2-(dimethylamino)ethyl)amino)pyrazin-2-yl)-1H-indol-3-yl)benzonitrile
• 英文别名: 3-[5-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]-1H-indol-3-yl]benzonitrile
• 化学式: C₂₃H₂₂N₆
• 分子量: 382.468
• InChiKey: BEGMGTVTJSZGTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氰基苯硼酸频哪醇酯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 、 potassium acetate 、 sodium carbonate 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 乙二醇二甲醚 、 乙醇 、 乙二醇甲醚 、 水 为溶剂， 反应 0.51h， 生成 3-(5-(6-((2-(dimethylamino)ethyl)amino)pyrazin-2-yl)-1H-indol-3-yl)benzonitrile
  参考文献：
  名称：

  Discovery and evaluation of 3,5-disubstituted indole derivatives as Pim kinase inhibitors

  摘要：

  Pim kinases are promising therapeutic targets for the treatment of hematological cancers. A potent Pim kinase inhibitor 7f, derived from meridianin C, was further optimized by the replacement of 2-aminopyrimidine with substituted benzene. The optimization of the C-3 and C-5 positions of indole yielded compound 43 with improved cellular potency and high selectivity against a panel of 14 different kinases.

  DOI：

  10.1016/j.bmcl.2018.05.054

文献信息

• Discovery and evaluation of 3,5-disubstituted indole derivatives as Pim kinase inhibitors
  作者：Kunal N. More、Victor S. Hong、Ahyeon Lee、Jongsung Park、Shin Kim、Jinho Lee

  DOI：10.1016/j.bmcl.2018.05.054

  日期：2018.8

  Pim kinases are promising therapeutic targets for the treatment of hematological cancers. A potent Pim kinase inhibitor 7f, derived from meridianin C, was further optimized by the replacement of 2-aminopyrimidine with substituted benzene. The optimization of the C-3 and C-5 positions of indole yielded compound 43 with improved cellular potency and high selectivity against a panel of 14 different kinases.