4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorobenzyl)oxy]pyridazin-3(2H)-one

• 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-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorobenzyl)oxy]pyridazin-3(2H)-one
• 英文别名: 4-bromo-2-(2,6-dichlorophenyl)-5-(3,4-difluorobenzyloxy)pyridazin-3(2H)-one；4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorophenyl)methoxy]pyridazin-3-one
• 化学式: C₁₇H₉BrCl₂F₂N₂O₂
• 分子量: 462.077
• InChiKey: BCUBBWKUZKBCOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4,5-二溴-2-(2,6-二氯苯基)哒嗪-3-酮 、 3,4-二氟苯甲醇 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 为溶剂， 生成 4-bromo-2-(2,6-dichlorophenyl)-5-[(3,4-difluorobenzyl)oxy]pyridazin-3(2H)-one
  参考文献：
  名称：

  Discovery of 5-substituted-N-arylpyridazinones as inhibitors of p38 MAP kinase

  摘要：

  The synthesis, structure-activity relationship and modeling of a series of 5-substituted-N-aryl pyridazinone based p38 alpha inhibitors are described. In comparing the series to the similar N-aryl pyridinone series, it was found that the pyridazinones maintained a weaker interaction to the p38 enzyme, and therefore showed generally weaker binding than the pyridinones. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.088

文献信息

• Substituted pyridazinones
  申请人：Hepperle Michael

  公开号：US20050020594A1

  公开（公告）日：2005-01-27

  Disclosed are substituted pyridazinones that are useful for treating diseases and conditions caused or exacerbated by unregulated p38 MAP Kinase and/or TNF activity. Pharmaceutical composition containing the pyridazinone compounds, methods of preparing the compounds and methods of treatment using the compounds are also disclosed.

  公开了用于治疗由不受调控的p38 MAP激酶和/或TNF活性引起或加重的疾病和病况的替代吡啶并酮。还公开了含有吡啶并酮化合物的药物组合物、制备该化合物的方法以及使用该化合物进行治疗的方法。
• Discovery of 5-substituted-N-arylpyridazinones as inhibitors of p38 MAP kinase
  作者：Kevin D. Jerome、Michael E. Hepperle、John K. Walker、Li Xing、Rajesh V. Devraj、Alan G. Benson、John E. Baldus、Shaun R. Selness

  DOI：10.1016/j.bmcl.2010.03.088

  日期：2010.5

  The synthesis, structure-activity relationship and modeling of a series of 5-substituted-N-aryl pyridazinone based p38 alpha inhibitors are described. In comparing the series to the similar N-aryl pyridinone series, it was found that the pyridazinones maintained a weaker interaction to the p38 enzyme, and therefore showed generally weaker binding than the pyridinones. (C) 2010 Elsevier Ltd. All rights reserved.