5-(2-Chlorophenyl)-1-(2,6-dichlorophenyl)-3-hydroxy-7-methoxyquinolin-2-one | 1024001-55-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5-(2-Chlorophenyl)-1-(2,6-dichlorophenyl)-3-hydroxy-7-methoxyquinolin-2-one
• CAS: 1024001-55-5
• 化学式: C₂₂H₁₄Cl₃NO₃
• 分子量: 446.717
• InChiKey: WJNSPQTZVLYFTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-(2-Chlorophenyl)-1-(2,6-dichlorophenyl)-3,7-dimethoxyquinolin-2-one 在 三溴化硼 作用下， 以65%的产率得到5-(2-Chlorophenyl)-1-(2,6-dichlorophenyl)-3-hydroxy-7-methoxyquinolin-2-one
  参考文献：
  名称：

  Synthesis and biological activity of quinolinone and dihydroquinolinone p38 MAP kinase inhibitors

  摘要：

  Synthesis and biological activities of some quinolinone and dihydroquinolinone p38 MAP kinase inhibitors are reported. Modi. cations to the dihydroquinolinone pharmacophore revealed that dihydroquinolinone may be replaced with a quinolinone pharmacophore and lead to enhanced p38 inhibitory activity. From a study of C-7 substitutions by amino acid side chains, a very potent series of compounds in the p38 enzyme assays was identified. Translation of the in vitro activity into reasonable whole blood activity can be improved in this series of compounds by judicious modi. cation of the physical properties at appropriate regions of the lead. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.097

文献信息

• Synthesis and biological activity of quinolinone and dihydroquinolinone p38 MAP kinase inhibitors
  作者：Meng-Hsin Chen、Patricia Fitzgerald、Suresh B. Singh、Edward A. O’Neill、Cheryl D. Schwartz、Chris M. Thompson、Stephen J. O’Keefe、Dennis M. Zaller、James B. Doherty

  DOI：10.1016/j.bmcl.2006.10.097

  日期：2008.3

  Synthesis and biological activities of some quinolinone and dihydroquinolinone p38 MAP kinase inhibitors are reported. Modi. cations to the dihydroquinolinone pharmacophore revealed that dihydroquinolinone may be replaced with a quinolinone pharmacophore and lead to enhanced p38 inhibitory activity. From a study of C-7 substitutions by amino acid side chains, a very potent series of compounds in the p38 enzyme assays was identified. Translation of the in vitro activity into reasonable whole blood activity can be improved in this series of compounds by judicious modi. cation of the physical properties at appropriate regions of the lead. (C) 2006 Elsevier Ltd. All rights reserved.