2,3,5,6-Tetrafluoro-4-[4-(4-fluoro-phenyl)-5-pyridin-4-yl-[1,2,3]triazol-2-yl]-pyridine | 497165-55-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2,3,5,6-Tetrafluoro-4-[4-(4-fluoro-phenyl)-5-pyridin-4-yl-[1,2,3]triazol-2-yl]-pyridine
• 英文别名: 2,3,5,6-tetrafluoro-4-[4-(4-fluorophenyl)-5-pyridin-4-yltriazol-2-yl]pyridine
• CAS: 497165-55-6
• 化学式: C₁₈H₈F₅N₅
• 分子量: 389.287
• InChiKey: DMKVQBIYSDLDIS-UHFFFAOYSA-N

物化性质

• 沸点：
  495.8±55.0 °C(Predicted)
• 密度：
  1.54±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2,3,5,6-Tetrafluoro-4-[4-(4-fluoro-phenyl)-5-pyridin-4-yl-[1,2,3]triazol-2-yl]-pyridine 在 ammonium hydroxide 作用下， 反应 17.0h， 以24%的产率得到3,5-Difluoro-4-[4-(4-fluoro-phenyl)-5-pyridin-4-yl-[1,2,3]triazol-2-yl]-pyridine-2,6-diamine
  参考文献：
  名称：

  SAR of 2,6-diamino-3,5-difluoropyridinyl substituted heterocycles as novel p38MAP kinase inhibitors

  摘要：

  2,6-Diamino-3,5-difluoropyridinyl substituted pyridinylimidazoles, -pyrroles, -oxazoles, -thiazoles and -triazoles have been identified as novel p38alpha inhibitors. Pyridinylimidazole 11 potently inhibited LPS-induced TNFalpha in mice, showed good efficacy in the established rat adjuvant (ED50: 10mg/kg po b.i.d.) and collagen induced arthritis (ED50: 5mg/kg po b.i.d.) with disease modifying properties based on histological analysis of the joints. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00336-0
• 作为产物：
  描述：

  4-((4-fluorophenyl)ethynyl)pyridine 在 叠氮基三甲基硅烷 、 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 为溶剂， 反应 48.33h， 生成 2,3,5,6-Tetrafluoro-4-[4-(4-fluoro-phenyl)-5-pyridin-4-yl-[1,2,3]triazol-2-yl]-pyridine
  参考文献：
  名称：

  SAR of 2,6-diamino-3,5-difluoropyridinyl substituted heterocycles as novel p38MAP kinase inhibitors

  摘要：

  2,6-Diamino-3,5-difluoropyridinyl substituted pyridinylimidazoles, -pyrroles, -oxazoles, -thiazoles and -triazoles have been identified as novel p38alpha inhibitors. Pyridinylimidazole 11 potently inhibited LPS-induced TNFalpha in mice, showed good efficacy in the established rat adjuvant (ED50: 10mg/kg po b.i.d.) and collagen induced arthritis (ED50: 5mg/kg po b.i.d.) with disease modifying properties based on histological analysis of the joints. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00336-0

文献信息

• SAR of 2,6-diamino-3,5-difluoropyridinyl substituted heterocycles as novel p38MAP kinase inhibitors
  作者：Laszlo Revesz、Franco E. Di Padova、Thomas Buhl、Roland Feifel、Hermann Gram、Peter Hiestand、Ute Manning、Romain Wolf、Alfred G. Zimmerlin

  DOI：10.1016/s0960-894x(02)00336-0

  日期：2002.8

  2,6-Diamino-3,5-difluoropyridinyl substituted pyridinylimidazoles, -pyrroles, -oxazoles, -thiazoles and -triazoles have been identified as novel p38alpha inhibitors. Pyridinylimidazole 11 potently inhibited LPS-induced TNFalpha in mice, showed good efficacy in the established rat adjuvant (ED50: 10mg/kg po b.i.d.) and collagen induced arthritis (ED50: 5mg/kg po b.i.d.) with disease modifying properties based on histological analysis of the joints. (C) 2002 Published by Elsevier Science Ltd.