5-(tert-butyl)-2-(2-methylpyrimidin-5-yl)aniline | 1160718-13-7

• 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-(tert-butyl)-2-(2-methylpyrimidin-5-yl)aniline
• CAS: 1160718-13-7
• 化学式: C₁₅H₁₉N₃
• 分子量: 241.336
• InChiKey: RIBHWPNQAADMKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.33
• 重原子数：
  18.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  51.8
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  光气 、 5-(tert-butyl)-2-(2-methylpyrimidin-5-yl)aniline 在 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 生成
  参考文献：
  名称：

  Discovery and characterization of the N-phenyl-N′-naphthylurea class of p38 kinase inhibitors

  摘要：

  An effort aimed at exploring structural diversity in the N-pyrazole-N'-naphthylurea class of p38 kinase inhibitors led to the synthesis and characterization of N-phenyl-N'-naphthylureas. Examples of these compounds displayed excellent inhibition of TNF-alpha production in vitro, as well as efficacy in a mouse model of lipopolysaccharide induced endotoxemia. In addition, perspective is provided on the role of a sulfonamide functionality in defining inhibitor potency.

  DOI：

  10.1016/j.bmcl.2009.03.104
• 作为产物：
  描述：

  在 palladium on activated charcoal 、 甲酸铵 作用下， 以 乙醇 为溶剂， 生成 5-(tert-butyl)-2-(2-methylpyrimidin-5-yl)aniline
  参考文献：
  名称：

  Discovery and characterization of the N-phenyl-N′-naphthylurea class of p38 kinase inhibitors

  摘要：

  An effort aimed at exploring structural diversity in the N-pyrazole-N'-naphthylurea class of p38 kinase inhibitors led to the synthesis and characterization of N-phenyl-N'-naphthylureas. Examples of these compounds displayed excellent inhibition of TNF-alpha production in vitro, as well as efficacy in a mouse model of lipopolysaccharide induced endotoxemia. In addition, perspective is provided on the role of a sulfonamide functionality in defining inhibitor potency.

  DOI：

  10.1016/j.bmcl.2009.03.104