| 1239441-56-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1239441-56-5
• 化学式: C₁₂H₈ClN₃
• 分子量: 229.669
• InChiKey: MOJMWGFNWQBWHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.05
• 重原子数：
  16.0
• 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：
  30.19
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-吡唑硼酸 、 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 生成 6-phenyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine
  参考文献：
  名称：

  Design and evaluation of 3,6-di(hetero)aryl imidazo[1,2-a]pyrazines as inhibitors of checkpoint and other kinases

  摘要：

  A range of 3,6-di(hetero)arylimidazo[1,2-a]pyrazine ATP-competitive inhibitors of CHK1 were developed by scaffold hopping from a weakly active screening hit. Efficient synthetic routes for parallel synthesis were developed to prepare analogues with improved potency and ligand efficiency against CHK1. Kinase profiling showed that the imidazo[1,2-a]pyrazines could inhibit other kinases, including CHK2 and ABL, with equivalent or better potency depending on the pendant substitution. These 3,6-di(hetero)aryl imidazo[1,2-a]pyrazines appear to represent a general kinase inhibitor scaffold.

  DOI：

  10.1016/j.bmcl.2010.05.096
• 作为产物：
  描述：

  6-bromo-3-chloroimidazo[1,2-a]pyrazine 、 苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 水 、 乙腈 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Design and evaluation of 3,6-di(hetero)aryl imidazo[1,2-a]pyrazines as inhibitors of checkpoint and other kinases

  摘要：

  A range of 3,6-di(hetero)arylimidazo[1,2-a]pyrazine ATP-competitive inhibitors of CHK1 were developed by scaffold hopping from a weakly active screening hit. Efficient synthetic routes for parallel synthesis were developed to prepare analogues with improved potency and ligand efficiency against CHK1. Kinase profiling showed that the imidazo[1,2-a]pyrazines could inhibit other kinases, including CHK2 and ABL, with equivalent or better potency depending on the pendant substitution. These 3,6-di(hetero)aryl imidazo[1,2-a]pyrazines appear to represent a general kinase inhibitor scaffold.

  DOI：

  10.1016/j.bmcl.2010.05.096