N-[(3-methoxyphenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide | 515152-89-3

• 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: N-[(3-methoxyphenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
• CAS: 515152-89-3
• 化学式: C₂₅H₂₃N₃O₃
• 分子量: 413.476
• InChiKey: BVGHDOMJGHGNCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  77.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-[(3-methoxyphenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide 、 碘甲烷 生成 N-(3-Methoxybenzyl)-N-methyl-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxamide
  参考文献：
  名称：

  2′-Methyl-5-(1,3,4-oxadiazol-2-yl)1, 1′-biphenyl-4-carboxaide derivatives and their use as p38 kinase

  摘要：

  化合物的公式（I），其中R1是苯基，可以选择性地被取代; R2选自氢，C1-6烷基和（CH2）p-C3-7环烷基; R3是基团：（公式II），R4选自氢和C1-4烷基; U选自甲基和卤素; X和Y各自独立地选自氢，甲基和卤素; m选自0、1、2、3和4，并可以选择性地用最多两个独立选择的C1-6烷基取代; n选自0、1和2; p选自0、1和2; 或其药学上可接受的盐或溶剂，以及它们作为药物的用途，特别是作为p38激酶抑制剂。

  公开号：

  US07384963B2
• 作为产物：
  描述：

  4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzoic Acid 、 3-甲氧基苄胺 生成 N-[(3-methoxyphenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
  参考文献：
  名称：

  2′-Methyl-5-(1,3,4-oxadiazol-2-yl)1, 1′-biphenyl-4-carboxaide derivatives and their use as p38 kinase

  摘要：

  化合物的公式（I），其中R1是苯基，可以选择性地被取代; R2选自氢，C1-6烷基和（CH2）p-C3-7环烷基; R3是基团：（公式II），R4选自氢和C1-4烷基; U选自甲基和卤素; X和Y各自独立地选自氢，甲基和卤素; m选自0、1、2、3和4，并可以选择性地用最多两个独立选择的C1-6烷基取代; n选自0、1和2; p选自0、1和2; 或其药学上可接受的盐或溶剂，以及它们作为药物的用途，特别是作为p38激酶抑制剂。

  公开号：

  US07384963B2

文献信息

• 2'-Methyl-5-(1,3,4-oxadiazol-2-yl)1,1'-biphenyl-4-carboxaide derivatives and their use as p38 kinase inhibitors
  申请人：——

  公开号：US20040266839A1

  公开（公告）日：2004-12-30

  Compounds of formula (I), wherein R 1 is a phenyl group which may be optionally substituted; R 2 is selected from hydrogen, C 1-6 alkyl and (CH 2 ) p —C 3-7 cycloalkyl; R 3 is the group: (Formula II), R 4 is selected from hydrogen and C 1-4 alkyl; U is selected from methyl and halogen; X and Y are each selected independently from hydrogen, methyl and halogen; m is selected from 0, 1, 2, 3 and 4, and may be optionally substituted with up to two groups selected independently from C 1-6 alkyl; n is selected from 0, 1 and 2; p is selected from 0, 1 and 2; or pharmaceutically acceptable salts or solvates thereof, and their use as pharmaceuticals, particularly as p38 kinase inhibitors. 1

  公式（I）的化合物，其中R1是苯基，可以选择性地被取代；R2选自氢、C1-6烷基和(CH2)p-C3-7环烷基；R3是基团：（公式II），R4选自氢和C1-4烷基；U选自甲基和卤素；X和Y各自独立地选自氢、甲基和卤素；m选自0、1、2、3和4，并且可以选择性地被最多两个独立选择自C1-6烷基的基团取代；n选自0、1和2；p选自0、1和2；或其药学上可接受的盐或溶剂，以及它们作为药物的用途，特别是作为p38激酶抑制剂。
• 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.
• 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1435949A1

  公开（公告）日：2004-07-14
• US7384963B2
  申请人：——

  公开号：US7384963B2

  公开（公告）日：2008-06-10
• [EN] 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS<br/>[FR] DERIVES DE 2'-METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE ET LEUR UTILISATION COMME INHIBITEURS DE LA KINASE P38
  申请人：GLAXO GROUP LTD

  公开号：WO2003032986A1

  公开（公告）日：2003-04-24

  Compounds of formula (I), wherein R1 is a phenyl group which may be optionally substituted; R2 is selected from hydrogen, C¿1-6?alkyl and (CH2)p-C3-7cycloalkyl; R?3¿ is the group: (Formula II), R4 is selected from hydrogen and C¿1-4?alkyl; U is selected from methyl and halogen; X and Y are each selected independently from hydrogen, methyl and halogen; m is selected from 0, 1, 2, 3 and 4, and may be optionally substituted with up to two groups selected independently from C1-6alkyl; n is selected from 0, 1 and 2; p is selected from 0, 1 and 2; or pharmaceutically acceptable salts or solvates thereof, and their use as pharmaceuticals, particularly as p38 kinase inhibitors.