tert-butyl 4-(1-(6-chloroimidazo[2,1-b]thiazol-5-ylsulfonyl)-1H-pyrrolo[3,2-b]pyridin-6-yl)piperazine-1-carboxylate | 1165803-44-0

• 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: tert-butyl 4-(1-(6-chloroimidazo[2,1-b]thiazol-5-ylsulfonyl)-1H-pyrrolo[3,2-b]pyridin-6-yl)piperazine-1-carboxylate
• 英文别名: tert-butyl 4-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate
• CAS: 1165803-44-0
• 化学式: C₂₁H₂₃ClN₆O₄S₂
• 分子量: 523.036
• InChiKey: JKYGLDWVDXTXJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  139
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-(1H-吡咯并[3,2-b]吡啶-6-基)-哌嗪-1-羧酸叔丁酯 、 6-氯咪唑[2,1-b][1,3]噻唑-5-磺酰氯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 tert-butyl 4-(1-(6-chloroimidazo[2,1-b]thiazol-5-ylsulfonyl)-1H-pyrrolo[3,2-b]pyridin-6-yl)piperazine-1-carboxylate
  参考文献：
  名称：

  Discovery of 4-azaindoles as novel inhibitors of c-Met kinase

  摘要：

  A series of 4-azaindole inhibitors of c-Met kinase is described. The postulated binding mode was confirmed by an X-ray crystal structure and series optimisation was performed on the basis of this structure. Future directions for series development are discussed.

  DOI：

  10.1016/j.bmcl.2009.03.110

文献信息

• Discovery of 4-azaindoles as novel inhibitors of c-Met kinase
  作者：John Porter、Simon Lumb、Richard J. Franklin、Jose M. Gascon-Simorte、Mark Calmiano、Kelly Le Riche、Bénédicte Lallemand、Jean Keyaerts、Helen Edwards、Alison Maloney、Jean Delgado、Lloyd King、Anne Foley、Fabien Lecomte、James Reuberson、Christoph Meier、Mark Batchelor

  DOI：10.1016/j.bmcl.2009.03.110

  日期：2009.5

  A series of 4-azaindole inhibitors of c-Met kinase is described. The postulated binding mode was confirmed by an X-ray crystal structure and series optimisation was performed on the basis of this structure. Future directions for series development are discussed.