2-[[2-(3-Chlorophenoxy)-5-(trifluoromethyl)pyridin-4-yl]amino]benzamide | 1350327-53-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[[2-(3-Chlorophenoxy)-5-(trifluoromethyl)pyridin-4-yl]amino]benzamide
• CAS: 1350327-53-5
• 化学式: C₁₉H₁₃ClF₃N₃O₂
• 分子量: 407.779
• InChiKey: OCHCLSOFYOZAEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  77.2
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  在 双氧水 、 potassium hydroxide 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 生成 2-[[2-(3-Chlorophenoxy)-5-(trifluoromethyl)pyridin-4-yl]amino]benzamide
  参考文献：
  名称：

  Synthesis and SAR of 2-Phenoxypyridines as novel c-Jun N-terminal kinase inhibitors

  摘要：

  The design and synthesis of a novel series of c-jun N-terminal kinase (JNK3) inhibitors is described. The development and optimization of the 2-phenoxypyridine series was carried out from an earlier pyrimidine series of JNK1 inhibitors. Through the optimization of the scaffold 2, several potent compounds with good in vivo profiles were discovered. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.090

文献信息

• Synthesis and SAR of 2-Phenoxypyridines as novel c-Jun N-terminal kinase inhibitors
  作者：Xinyi Song、Weimin Chen、Li Lin、Claudia H. Ruiz、Michael D. Cameron、Derek R. Duckett、Theodore M. Kamenecka

  DOI：10.1016/j.bmcl.2011.09.090

  日期：2011.12

  The design and synthesis of a novel series of c-jun N-terminal kinase (JNK3) inhibitors is described. The development and optimization of the 2-phenoxypyridine series was carried out from an earlier pyrimidine series of JNK1 inhibitors. Through the optimization of the scaffold 2, several potent compounds with good in vivo profiles were discovered. (C) 2011 Elsevier Ltd. All rights reserved.