5-Pyrimidin-4-yl-6-(3-trifluoromethyl-phenyl)-pyridazin-3-ol | 853730-41-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-Pyrimidin-4-yl-6-(3-trifluoromethyl-phenyl)-pyridazin-3-ol
• CAS: 853730-41-3
• 化学式: C₁₅H₉F₃N₄O
• 分子量: 318.258
• InChiKey: MOVHWFBOYNUOOG-UHFFFAOYSA-N

物化性质

• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.33
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  71.79
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5-Pyrimidin-4-yl-6-(3-trifluoromethyl-phenyl)-pyridazin-3-ol 在 苄基三乙基氯化铵 、 potassium carbonate 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 20.0h， 生成 2-methyl-3-phenyl-1-N-[5-pyrimidin-4-yl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]propane-1,2-diamine
  参考文献：
  名称：

  Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase

  摘要：

  Novel potent trisubstituted pyridazine inhibitors of p38 MAP (mitogen activated protein) kinase are described that have activity in both cell-based assays of cytokine release and animal models of rheumatoid arthritis. They demonstrated potent inhibition of LPS-induced TNF-alpha production in mice and exhibited good efficacy in the rat collagen induced arthritis model.

  DOI：

  10.1016/j.bmcl.2005.02.010
• 作为产物：
  描述：

  在 溴 、 溶剂黄146 作用下， 反应 2.0h， 生成 5-Pyrimidin-4-yl-6-(3-trifluoromethyl-phenyl)-pyridazin-3-ol
  参考文献：
  名称：

  Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase

  摘要：

  Novel potent trisubstituted pyridazine inhibitors of p38 MAP (mitogen activated protein) kinase are described that have activity in both cell-based assays of cytokine release and animal models of rheumatoid arthritis. They demonstrated potent inhibition of LPS-induced TNF-alpha production in mice and exhibited good efficacy in the rat collagen induced arthritis model.

  DOI：

  10.1016/j.bmcl.2005.02.010