4-(6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-1-ylsulfonyl)benzo[c][1,2,5]oxadiazole | 1165803-32-6

• 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: 4-(6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-1-ylsulfonyl)benzo[c][1,2,5]oxadiazole
• 英文别名: 4-[6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-2,1,3-benzoxadiazole
• CAS: 1165803-32-6
• 化学式: C₂₃H₂₁N₇O₃S
• 分子量: 475.531
• InChiKey: CRXFYGMLTVAQJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  119
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridine 、 2,1,3-苯并二唑-4-磺酰氯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 4-(6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-1-ylsulfonyl)benzo[c][1,2,5]oxadiazole
  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.