2-Methyl-5-{4-methyl-3-[4-(piperidin-1-ylcarbonyl)phenyl]phenyl}-1,3,4-oxadiazole | 515143-47-2

• 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: 2-Methyl-5-{4-methyl-3-[4-(piperidin-1-ylcarbonyl)phenyl]phenyl}-1,3,4-oxadiazole
• 英文别名: [4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-piperidin-1-ylmethanone
• CAS: 515143-47-2
• 化学式: C₂₂H₂₃N₃O₂
• 分子量: 361.444
• InChiKey: AOBVNVRAFXWMAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  59.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  哌啶 、 2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carbonyl chloride 在 三乙胺 作用下， 生成 2-Methyl-5-{4-methyl-3-[4-(piperidin-1-ylcarbonyl)phenyl]phenyl}-1,3,4-oxadiazole
  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

• Biphenyl amide p38 kinase inhibitors 2: Optimisation and SAR
  作者：Richard M. Angell、Tony D. Angell、Paul Bamborough、David Brown、Murray Brown、Jacky B. Buckton、Stuart G. Cockerill、Chris D. Edwards、Katherine L. Jones、Tim Longstaff、Penny A. Smee、Kathryn J. Smith、Don O. Somers、Ann L. Walker、Malcolm Willson

  DOI：10.1016/j.bmcl.2007.10.043

  日期：2008.1

  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.