4-(2-(1-aminoethyl)-8-methoxyimidazo[1,2-a]pyrazin-3-yl)benzonitrile | 1190969-70-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡嗪类
• 英文名称: 4-(2-(1-aminoethyl)-8-methoxyimidazo[1,2-a]pyrazin-3-yl)benzonitrile
• CAS: 1190969-70-0
• 化学式: C₁₆H₁₅N₅O
• 分子量: 293.328
• InChiKey: BBEPNWSZNBLQDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  89.23
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4-(2-(1-aminoethyl)-8-methoxyimidazo[1,2-a]pyrazin-3-yl)benzonitrile 以44%的产率得到(R)-4-(2-(1-aminoethyl)-8-methoxyimidazo[1,2-a]pyrazin-3-yl)benzonitrile
  参考文献：
  名称：

  Imidazo-pyrazine derivatives as potent CXCR3 antagonists

  摘要：

  A general way of improving the potency of CXCR3 antagonists with fused hetero-bicyclic cores was identified. Optimization efforts led to the discovery of a series of imidazo-pyrazine derivatives with improved pharmacokinetic properties in addition to increased potency. The efficacy of the lead compound 21 is evaluated in a mouse lung inflammation model. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.07.021
• 作为产物：
  描述：

  在 三苯基膦 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-(2-(1-aminoethyl)-8-methoxyimidazo[1,2-a]pyrazin-3-yl)benzonitrile
  参考文献：
  名称：

  Imidazo-pyrazine derivatives as potent CXCR3 antagonists

  摘要：

  A general way of improving the potency of CXCR3 antagonists with fused hetero-bicyclic cores was identified. Optimization efforts led to the discovery of a series of imidazo-pyrazine derivatives with improved pharmacokinetic properties in addition to increased potency. The efficacy of the lead compound 21 is evaluated in a mouse lung inflammation model. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.07.021