5-tert-butyl-2-methoxy-N-methyl-3-[[4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl]carbamoylamino]benzamide | 1160718-10-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5-tert-butyl-2-methoxy-N-methyl-3-[[4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl]carbamoylamino]benzamide
• CAS: 1160718-10-4
• 化学式: C₃₄H₃₉N₅O₄
• 分子量: 581.715
• InChiKey: CSWNDUQIPHBOTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  43
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-amino-4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalene 、 5-tert-butyl-3-isocyanato-2-methoxy-N-methylbenzamide 以 四氢呋喃 为溶剂， 生成 5-tert-butyl-2-methoxy-N-methyl-3-[[4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl]carbamoylamino]benzamide
  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