4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-cyclopentylpyrimidin-2-amine | 1158908-30-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-cyclopentylpyrimidin-2-amine
• 英文别名: 4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-cyclopentylpyrimidin-2-amine
• CAS: 1158908-30-5
• 化学式: C₁₈H₁₈ClN₅
• 分子量: 339.827
• InChiKey: PXJCEFGMIBFUGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  66.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-2-(methylsulfonyl)pyrimidine 、 环戊胺 以 1,4-二氧六环 为溶剂， 反应 0.17h， 以77%的产率得到4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-cyclopentylpyrimidin-2-amine
  参考文献：
  名称：

  Synthesis and SAR of 4-substituted-2-aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors

  摘要：

  The development of a series of novel 4-substituted-2-aminopyrimidines as inhibitors of c-Jun N-terminal kinases is described. The synthesis, in vitro inhibitory values for JNK1, and the in vitro inhibitory value for a c-Jun cellular assay are discussed. Optimization of microsomal clearance led to the identification of 9c, whose kinase selectivity is reported. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.023

文献信息

• Synthesis and SAR of 4-substituted-2-aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors
  作者：Paul S. Humphries、Jennifer A. Lafontaine、Charles S. Agree、David Alexander、Ping Chen、Quyen-Quyen T. Do、Lilian Y. Li、Elizabeth A. Lunney、Ranjan J. Rajapakse、Karen Siegel、Sergei L. Timofeevski、Tianlun Wang、David M. Wilhite

  DOI：10.1016/j.bmcl.2009.03.023

  日期：2009.4

  The development of a series of novel 4-substituted-2-aminopyrimidines as inhibitors of c-Jun N-terminal kinases is described. The synthesis, in vitro inhibitory values for JNK1, and the in vitro inhibitory value for a c-Jun cellular assay are discussed. Optimization of microsomal clearance led to the identification of 9c, whose kinase selectivity is reported. (C) 2009 Elsevier Ltd. All rights reserved.