1-(2''-fluoro-3''-(trifluoromethoxy)biphenyl-3-yl)-1H-pyrazole-3,5-dicarboxamide | 1261214-70-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(2''-fluoro-3''-(trifluoromethoxy)biphenyl-3-yl)-1H-pyrazole-3,5-dicarboxamide
• 英文别名: 1-[3-[2-fluoro-3-(trifluoromethoxy)phenyl]phenyl]pyrazole-3,5-dicarboxamide
• CAS: 1261214-70-3
• 化学式: C₁₈H₁₂F₄N₄O₃
• 分子量: 408.312
• InChiKey: GQXMBNZPGIEYQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  [2-氟-3-(三氟甲氧基)苯基]硼酸 、 1-(3-bromophenyl)-1H-pyrazole-3,5-dicarboxamide 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 三乙胺 作用下， 以 乙醇 为溶剂， 生成 1-(2''-fluoro-3''-(trifluoromethoxy)biphenyl-3-yl)-1H-pyrazole-3,5-dicarboxamide
  参考文献：
  名称：

  Discovery of a novel class of biphenyl pyrazole sodium channel blockers for treatment of neuropathic pain

  摘要：

  A series of novel biphenyl pyrazole dicarboxamides were identified as potential sodium channel blockers for treatment of neuropathic pain. Compound 20 had outstanding efficacy in the Chung rat spinal nerve ligation (SNL) model of neuropathic pain. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.017

文献信息

• Discovery of a novel class of biphenyl pyrazole sodium channel blockers for treatment of neuropathic pain
  作者：Sriram Tyagarajan、Prasun K. Chakravarty、Bishan Zhou、Brett Taylor、Ronsar Eid、Michael H. Fisher、William H. Parsons、Mathew J. Wyvratt、Kathryn A. Lyons、Tracy Klatt、Xiaohua Li、Sanjeev Kumar、Brande Williams、John Felix、Birgit T. Priest、Richard M. Brochu、Vivien Warren、McHardy Smith、Maria Garcia、Gregory J. Kaczorowski、William J. Martin、Catherine Abbadie、Erin McGowan、Nina Jochnowitz、Ann Weber、Joseph L. Duffy

  DOI：10.1016/j.bmcl.2010.10.017

  日期：2010.12

  A series of novel biphenyl pyrazole dicarboxamides were identified as potential sodium channel blockers for treatment of neuropathic pain. Compound 20 had outstanding efficacy in the Chung rat spinal nerve ligation (SNL) model of neuropathic pain. (C) 2010 Elsevier Ltd. All rights reserved.