N²-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N⁴-(1-methylbenzimidazol-4-yl)pyrimidine-2,4-diamine | 1582752-03-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N²-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N⁴-(1-methylbenzimidazol-4-yl)pyrimidine-2,4-diamine
• 英文别名: 2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(1-methylbenzimidazol-4-yl)pyrimidine-2,4-diamine
• CAS: 1582752-03-1
• 化学式: C₂₃H₂₃N₇O
• 分子量: 413.482
• InChiKey: WPCNDRLUPPPCNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  92.7
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• 4-(INDOLYL OR BENZIMIDAZOLYL)AMINO-2-(2-(INDOL-3-YL)ETHYL)AMINOPYRIMIDINES USEFUL FOR THE TREATMENT OF CANCER
  申请人：NOVIGA RESEARCH AB

  公开号：US20150252026A1

  公开（公告）日：2015-09-10

  The invention provides novel indole-and benzimidazole-substituted diaminopyrimidines of formula I, to methods of preparing such compounds, to pharmaceutical compositions containing such compounds, and to methods for using such compounds treatment of diseases including cancer; wherein R 1 -R 3 are as defined in the specification.