2-(4-Chlorophenyl)-5-methylsulfanylimidazo[1,2-c]pyrimidine-8-carbonitrile | 1432446-10-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-Chlorophenyl)-5-methylsulfanylimidazo[1,2-c]pyrimidine-8-carbonitrile
• 英文别名: 2-(4-chlorophenyl)-5-methylsulfanylimidazo[1,2-c]pyrimidine-8-carbonitrile
• CAS: 1432446-10-0
• 化学式: C₁₄H₉ClN₄S
• 分子量: 300.771
• InChiKey: MOPPYWYMEDKVNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  79.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-Chlorophenyl)-5-methylsulfanylimidazo[1,2-c]pyrimidine-8-carbonitrile 在 硫酸 、 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 为溶剂， 生成 2-(4-chlorophenyl)-5-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide
  参考文献：
  名称：

  Potency switch between CHK1 and MK2: Discovery of imidazo[1,2-a]pyrazine- and imidazo[1,2-c]pyrimidine-based kinase inhibitors

  摘要：

  Chemistry has been developed to access both imidazo[1,2-a]pyrazines and imidazo[1,2-c]pyrimidines. Small structural modifications in both series led to a switch of potency between two kinases involved in mediating cell cycle checkpoint control, CHK1 and MK2.

  DOI：

  10.1016/j.bmcl.2013.03.100
• 作为产物：
  描述：

  2-(4-chlorophenyl)-8-iodo-6H-imidazo[1,2-c]pyrimidin-5-one 在 四(三苯基膦)钯 、 tetraphosphorus decasulfide 、 potassium tert-butylate 、 sulfur 作用下， 以 吡啶 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 生成 2-(4-Chlorophenyl)-5-methylsulfanylimidazo[1,2-c]pyrimidine-8-carbonitrile
  参考文献：
  名称：

  Potency switch between CHK1 and MK2: Discovery of imidazo[1,2-a]pyrazine- and imidazo[1,2-c]pyrimidine-based kinase inhibitors

  摘要：

  Chemistry has been developed to access both imidazo[1,2-a]pyrazines and imidazo[1,2-c]pyrimidines. Small structural modifications in both series led to a switch of potency between two kinases involved in mediating cell cycle checkpoint control, CHK1 and MK2.

  DOI：

  10.1016/j.bmcl.2013.03.100

文献信息

• Potency switch between CHK1 and MK2: Discovery of imidazo[1,2-a]pyrazine- and imidazo[1,2-c]pyrimidine-based kinase inhibitors
  作者：Zhaoyang Meng、Jeffrey P. Ciavarri、Andrew McRiner、Yinyan Zhao、Lianyun Zhao、Panduranga Adulla Reddy、Xingmin Zhang、Thierry O. Fischmann、Charles Whitehurst、M. Arshad Siddiqui

  DOI：10.1016/j.bmcl.2013.03.100

  日期：2013.5

  Chemistry has been developed to access both imidazo[1,2-a]pyrazines and imidazo[1,2-c]pyrimidines. Small structural modifications in both series led to a switch of potency between two kinases involved in mediating cell cycle checkpoint control, CHK1 and MK2.