4''-Cyano-biphenyl-4-carboxylic acid 4-trifluoromethanesulfonylamino-bezylamide | 1010456-21-9

• 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: 4''-Cyano-biphenyl-4-carboxylic acid 4-trifluoromethanesulfonylamino-bezylamide
• 英文别名: 4-(4-cyanophenyl)-N-[[4-(trifluoromethylsulfonylamino)phenyl]methyl]benzamide
• CAS: 1010456-21-9
• 化学式: C₂₂H₁₆F₃N₃O₃S
• 分子量: 459.449
• InChiKey: NALHPLIRMOUGEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-氰基-4-联苯羧酸 、 N-[4-(aminomethyl)phenyl]-1,1,1-trifluoromethanesulfonamide 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 4''-Cyano-biphenyl-4-carboxylic acid 4-trifluoromethanesulfonylamino-bezylamide
  参考文献：
  名称：

  Design, synthesis and evaluation of trifluoromethane sulfonamide derivatives as new potent and selective peroxisome proliferator-activated receptor α agonists

  摘要：

  Starting from the structure of 5, a two-step strategy was applied to identify a new generation of trifluoromethane sulfonamides as potent PPAR alpha agonists. Synthesis, in vitro and in vivo evaluation of the most potent compound are reported. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.053

文献信息

• Design, synthesis and evaluation of trifluoromethane sulfonamide derivatives as new potent and selective peroxisome proliferator-activated receptor α agonists
  作者：Nicolas Faucher、Paul Martres、Alain Laroze、Olivier Pineau、Florent Potvain、Didier Grillot

  DOI：10.1016/j.bmcl.2007.11.053

  日期：2008.1

  Starting from the structure of 5, a two-step strategy was applied to identify a new generation of trifluoromethane sulfonamides as potent PPAR alpha agonists. Synthesis, in vitro and in vivo evaluation of the most potent compound are reported. (c) 2007 Elsevier Ltd. All rights reserved.