5-chloro-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-b]pyridine | 1360541-07-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-chloro-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-b]pyridine
• CAS: 1360541-07-6
• 化学式: C₁₁H₆ClFN₄
• 分子量: 248.647
• InChiKey: YDNDYMUWKIUMBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.61
• 重原子数：
  17.0
• 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：
  43.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  环己亚胺 、 5-chloro-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-b]pyridine 在 三乙胺 作用下， 以 乙醇 为溶剂， 生成 5-(Azepan-1-yl)-3-(4-fluorophenyl)triazolo[4,5-b]pyridine
  参考文献：
  名称：

  Hit to lead evaluation of 1,2,3-triazolo[4,5-b]pyridines as PIM kinase inhibitors

  摘要：

  PIM kinases have become targets of interest due to their association with biochemical mechanisms affecting survival, proliferation and cytokine production. 1,2,3-Triazolo[4,5-b]pyridines were identified as PIM inhibitors applying a scaffold hopping approach. Initial exploration around this scaffold and X-ray crystallographic data are hereby described. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.130
• 作为产物：
  描述：

  6-chloro-N-(4-fluorophenyl)-3-nitropyridin-2-amine 在 氢气 、 溶剂黄146 、 sodium nitrite 作用下， 以 水 、 乙酸乙酯 为溶剂， 生成 5-chloro-3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-b]pyridine
  参考文献：
  名称：

  Hit to lead evaluation of 1,2,3-triazolo[4,5-b]pyridines as PIM kinase inhibitors

  摘要：

  PIM kinases have become targets of interest due to their association with biochemical mechanisms affecting survival, proliferation and cytokine production. 1,2,3-Triazolo[4,5-b]pyridines were identified as PIM inhibitors applying a scaffold hopping approach. Initial exploration around this scaffold and X-ray crystallographic data are hereby described. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.130