6-(2,5-dichloropyrimidin-4-yl)-1H-indole | 937366-60-4

• 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: 6-(2,5-dichloropyrimidin-4-yl)-1H-indole
• CAS: 937366-60-4
• 化学式: C₁₂H₇Cl₂N₃
• 分子量: 264.114
• InChiKey: SLWKSRLZDADXSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.93
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.57
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  6-(2,5-dichloropyrimidin-4-yl)-1H-indole 、 4-(2-二甲基氨基乙基)-苯胺 以 乙二醇甲醚 为溶剂， 生成 5-chloro-N-(4-(2-(dimethylamino)ethyl)phenyl)-4-(1H-indol-6-yl)pyrimidin-2-amine
  参考文献：
  名称：

  Synthesis and biological study of 2-amino-4-aryl-5-chloropyrimidine analogues as inhibitors of VEGFR-2 and cyclin dependent kinase 1 (CDK1)

  摘要：

  The series of 2-amiiio-4-aryl-5-chloropyrimidines was discovered to be potent for both VEGFR-2 and CDK1. Described here are the chemistry for analogue synthesis, SAR study, and its kinase selectivity prolifing. The full rat PK data and in vivo efficacy study are also included. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.086
• 作为产物：
  描述：

  2,4,5-三氯嘧啶 、 吲哚-6-硼酸频哪醇酯 在 四(三苯基膦)钯 作用下， 以 乙二醇二甲醚 为溶剂， 生成 6-(2,5-dichloropyrimidin-4-yl)-1H-indole
  参考文献：
  名称：

  Synthesis and biological study of 2-amino-4-aryl-5-chloropyrimidine analogues as inhibitors of VEGFR-2 and cyclin dependent kinase 1 (CDK1)

  摘要：

  The series of 2-amiiio-4-aryl-5-chloropyrimidines was discovered to be potent for both VEGFR-2 and CDK1. Described here are the chemistry for analogue synthesis, SAR study, and its kinase selectivity prolifing. The full rat PK data and in vivo efficacy study are also included. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.086