N-(4-fluoro-3-(3-morpholinopropoxy)phenyl)-2-(4-(trifluoromethyl)phenyl)acetamide | 1186520-75-1

• 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: N-(4-fluoro-3-(3-morpholinopropoxy)phenyl)-2-(4-(trifluoromethyl)phenyl)acetamide
• 英文别名: N-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
• CAS: 1186520-75-1
• 化学式: C₂₂H₂₄F₄N₂O₃
• 分子量: 440.438
• InChiKey: QUMNKWHMKZIVEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-Fluoro-3-(3-morpholin-4-ylpropoxy)aniline 、 4-三氟甲基苯乙酸 在 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 氯仿 为溶剂， 反应 19.0h， 生成 N-(4-fluoro-3-(3-morpholinopropoxy)phenyl)-2-(4-(trifluoromethyl)phenyl)acetamide
  参考文献：
  名称：

  Unsymmetrical non-adamantyl N,N′-diaryl urea and amide inhibitors of soluble expoxide hydrolase

  摘要：

  Incorporation of an adamantyl group in prototypical soluble expoxide hydrolase (sEH) inhibitors afforded improved enzyme potency. We explored replacement of the adamantyl group in unsymmetrical ureas and amides with substituted aryl rings to identify equipotent and metabolically stable sEH inhibitors. We found that aryl rings, especially those substituted in the para position with a strongly electron withdrawing substituent, afforded enzyme IC50 values comparable to the adamantyl compounds in an ether substituted, unsymmetrical N,N'-diaryl urea or amide scaffold. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.102

文献信息

• Unsymmetrical non-adamantyl N,N′-diaryl urea and amide inhibitors of soluble expoxide hydrolase
  作者：Sampath-Kumar Anandan、Heather K. Webb、Zung N. Do、Richard D. Gless

  DOI：10.1016/j.bmcl.2009.05.102

  日期：2009.8

  Incorporation of an adamantyl group in prototypical soluble expoxide hydrolase (sEH) inhibitors afforded improved enzyme potency. We explored replacement of the adamantyl group in unsymmetrical ureas and amides with substituted aryl rings to identify equipotent and metabolically stable sEH inhibitors. We found that aryl rings, especially those substituted in the para position with a strongly electron withdrawing substituent, afforded enzyme IC50 values comparable to the adamantyl compounds in an ether substituted, unsymmetrical N,N'-diaryl urea or amide scaffold. (C) 2009 Elsevier Ltd. All rights reserved.