N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-carboxamide | 148672-16-6

• 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: N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-carboxamide
• 英文别名: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
• CAS: 148672-16-6
• 化学式: C₂₉H₃₁N₅O₃
• 分子量: 497.597
• InChiKey: KPNDZYJBDZIKBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  83.7
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carbonyl chloride 、 1-(5-氨基-2-甲氧基苯基)-4-甲基哌嗪 在 三乙胺 作用下， 生成 N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-carboxamide
  参考文献：
  名称：

  Biphenyl amide p38 kinase inhibitors 2: Optimisation and SAR

  摘要：

  The biphenyl amides are a novel series of p38 MAP kinase inhibitors. Structure-activity relationships of the series against p38 alpha are discussed with reference to the X-ray crystal structure of an example. The series was optimised rapidly to a compound showing oral activity in an in vivo disease model. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.043

文献信息

• Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors
  申请人：Angell Martyn Richard

  公开号：US20050065195A1

  公开（公告）日：2005-03-24

  Compounds of formula (I), wherein R3 is the group; or pharmaceutically acceptable salts or solvates thereof, and their use as pharmaceuticals, particularly as p38 kinase inhibitors.

  式(I)的化合物，其中R3为该基团；或其药学上可接受的盐或溶剂合物，并且它们可用作药物，特别是作为p38激酶抑制剂。
• Benzanilide derivatives as 5-HT1D antagonists
  申请人：GLAXO GROUP LIMITED

  公开号：EP0533268B1

  公开（公告）日：2001-08-16
• OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1436269A1

  公开（公告）日：2004-07-14
• US5340810A
  申请人：——

  公开号：US5340810A

  公开（公告）日：1994-08-23
• US5510350A
  申请人：——

  公开号：US5510350A

  公开（公告）日：1996-04-23