| 937366-50-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• CAS: 937366-50-2
• 化学式: C₂₄H₂₆BrClN₄O₂
• 分子量: 517.853
• InChiKey: AUYFALOEDQTPDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.06
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  76.14
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 盐酸 作用下， 以 甲醇 为溶剂， 生成 4-(4-(2-aminopropan-2-yl)phenyl)-N-(3-bromophenyl)-5-chloropyrimidin-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：

  tert-butyl (2-(4-bromophenyl)propan-2-yl)carbamate 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride potassium acetate 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 乙二醇甲醚 为溶剂， 生成
  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