1-(4-(8-Phenyl-6-(trifluoromethyl)quinoxalin-2-yl)piperazin-1-yl)ethanone | 1123738-24-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(4-(8-Phenyl-6-(trifluoromethyl)quinoxalin-2-yl)piperazin-1-yl)ethanone
• 英文别名: 1-[4-[8-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]piperazin-1-yl]ethanone
• CAS: 1123738-24-8
• 化学式: C₂₁H₁₉F₃N₄O
• 分子量: 400.403
• InChiKey: PIOQZNSXCAHYPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  49.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-溴-5-三氟甲基-1,2-苯二胺 在 四(三苯基膦)钯 、 sodium carbonate 、 三氯氧磷 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醇 为溶剂， 生成 1-(4-(8-Phenyl-6-(trifluoromethyl)quinoxalin-2-yl)piperazin-1-yl)ethanone
  参考文献：
  名称：

  Discovery of a novel series of quinoxalines as inhibitors of c-Met kinase

  摘要：

  A series of quinoxaline inhibitors of c-Met kinase is described. The postulated binding mode was confirmed by an X-ray crystal structure and optimisation of the series was performed on the basis of this structure. Future directions for development of the series are discussed together with the identification of a novel quinoline scaffold.

  DOI：

  10.1016/j.bmcl.2008.11.062

文献信息

• Discovery of a novel series of quinoxalines as inhibitors of c-Met kinase
  作者：John Porter、Simon Lumb、Fabien Lecomte、James Reuberson、Anne Foley、Mark Calmiano、Kelly le Riche、Helen Edwards、Jean Delgado、Richard J. Franklin、Jose M. Gascon-Simorte、Alison Maloney、Christoph Meier、Mark Batchelor

  DOI：10.1016/j.bmcl.2008.11.062

  日期：2009.1

  A series of quinoxaline inhibitors of c-Met kinase is described. The postulated binding mode was confirmed by an X-ray crystal structure and optimisation of the series was performed on the basis of this structure. Future directions for development of the series are discussed together with the identification of a novel quinoline scaffold.