5-Piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine | 1331742-40-5

• 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: 5-Piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine
• CAS: 1331742-40-5
• 化学式: C₁₆H₁₅F₃N₆O
• 分子量: 364.33
• InChiKey: XMQNESURDOJRSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  68.1
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3-三氟甲氧基苯胺 在 氢气 、 碳酸氢钠 、 溶剂黄146 、 三乙胺 、 sodium nitrite 作用下， 以 乙醇 、 水 、 乙酸乙酯 为溶剂， 生成 5-Piperazin-1-yl-3-[3-(trifluoromethoxy)phenyl]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

文献信息

• Hit to lead evaluation of 1,2,3-triazolo[4,5-b]pyridines as PIM kinase inhibitors
  作者：Joaquín Pastor、Julen Oyarzabal、Gustavo Saluste、Rosa María Alvarez、Virginia Rivero、Francisco Ramos、Elena Cendón、Carmen Blanco-Aparicio、Nuria Ajenjo、Antonio Cebriá、M.I. Albarrán、David Cebrián、Ana Corrionero、Jesús Fominaya、Guillermo Montoya、Marco Mazzorana

  DOI：10.1016/j.bmcl.2011.12.130

  日期：2012.2

  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.