1-[3-(5-formyl-2-methoxyphenoxy)propyl]-3-[4-(trifluoromethyl)phenyl]urea | 1422166-52-6

• 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: 1-[3-(5-formyl-2-methoxyphenoxy)propyl]-3-[4-(trifluoromethyl)phenyl]urea
• 英文别名: 1-[3-(5-Formyl-2-methoxyphenoxy)propyl]-3-[4-(trifluoromethyl)phenyl]urea
• CAS: 1422166-52-6
• 化学式: C₁₉H₁₉F₃N₂O₄
• 分子量: 396.366
• InChiKey: JDQALPFYIKJQSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-氨基-5-甲基吡啶 、 异氰环已烷 、 1-[3-(5-formyl-2-methoxyphenoxy)propyl]-3-[4-(trifluoromethyl)phenyl]urea 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 以18%的产率得到1-[3-[5-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]-3-[4-(trifluoromethyl)phenyl]urea
  参考文献：
  名称：

  Synthesis and Structure–Activity Relationship Studies of Novel Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase

  摘要：

  Current research leads to the assumption that drugs affecting more than one target could result in a more efficient treatment of diseases and fewer safety concerns. Administration of drugs inhibiting only one branch of the arachidonic acid cascade is usually accompanied by side effects. We therefore designed and synthesized a library of hybrid molecules incorporating an imidazo[1,2-a]pyridine and an urea moiety as novel soluble epoxide hydrolase (sEH)/5-lipoxygenase (5-LO) dual inhibitors. Evaluation of the compounds was accomplished by in vitro testing using recombinant enzyme assays.

  DOI：

  10.1021/jm301617j
• 作为产物：
  描述：

  对三氟甲基苯胺 在 caesium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 1-[3-(5-formyl-2-methoxyphenoxy)propyl]-3-[4-(trifluoromethyl)phenyl]urea
  参考文献：
  名称：

  Synthesis and Structure–Activity Relationship Studies of Novel Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase

  摘要：

  Current research leads to the assumption that drugs affecting more than one target could result in a more efficient treatment of diseases and fewer safety concerns. Administration of drugs inhibiting only one branch of the arachidonic acid cascade is usually accompanied by side effects. We therefore designed and synthesized a library of hybrid molecules incorporating an imidazo[1,2-a]pyridine and an urea moiety as novel soluble epoxide hydrolase (sEH)/5-lipoxygenase (5-LO) dual inhibitors. Evaluation of the compounds was accomplished by in vitro testing using recombinant enzyme assays.

  DOI：

  10.1021/jm301617j

文献信息

• Synthesis and Structure–Activity Relationship Studies of Novel Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase
  作者：Karin Meirer、Carmen B. Rödl、Joanna M. Wisniewska、Sven George、Ann-Kathrin Häfner、Estel·la Buscató、Franca-Maria Klingler、Steffen Hahn、Dirk Berressem、Sandra K. Wittmann、Dieter Steinhilber、Bettina Hofmann、Ewgenij Proschak

  DOI：10.1021/jm301617j

  日期：2013.2.28

  Current research leads to the assumption that drugs affecting more than one target could result in a more efficient treatment of diseases and fewer safety concerns. Administration of drugs inhibiting only one branch of the arachidonic acid cascade is usually accompanied by side effects. We therefore designed and synthesized a library of hybrid molecules incorporating an imidazo[1,2-a]pyridine and an urea moiety as novel soluble epoxide hydrolase (sEH)/5-lipoxygenase (5-LO) dual inhibitors. Evaluation of the compounds was accomplished by in vitro testing using recombinant enzyme assays.