5-bromo-4-[(4-fluorophenyl)methylamino]-1H-pyridazin-6-one | 1030789-43-5

• 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: 5-bromo-4-[(4-fluorophenyl)methylamino]-1H-pyridazin-6-one
• CAS: 1030789-43-5
• 化学式: C₁₁H₉BrFN₃O
• mdl: MFCD10602918
• 分子量: 298.114
• InChiKey: ZPCGTLNPFGLXKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  53.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-溴-2，6-二氯苯 、 5-bromo-4-[(4-fluorophenyl)methylamino]-1H-pyridazin-6-one 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-bromo-2-(2,6-dichlorophenyl)-5-[(4-fluorobenzyl)amino]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
• 作为产物：
  描述：

  在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 5-bromo-4-[(4-fluorophenyl)methylamino]-1H-pyridazin-6-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