3-{4-[2-(4'-Bromo-biphenyl-4-yloxy)-ethoxy]-phenyl}-2-methoxy-propionic acid ethyl ester | 877615-47-9

• 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: 3-{4-[2-(4'-Bromo-biphenyl-4-yloxy)-ethoxy]-phenyl}-2-methoxy-propionic acid ethyl ester
• CAS: 877615-47-9
• 化学式: C₂₆H₂₇BrO₅
• 分子量: 499.401
• InChiKey: BFEWRFMKIAHAEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.69
• 重原子数：
  32.0
• 可旋转键数：
  11.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  53.99
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  3-{4-[2-(4'-Bromo-biphenyl-4-yloxy)-ethoxy]-phenyl}-2-methoxy-propionic acid ethyl ester 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Design, synthesis, and evaluation of 2-alkoxydihydrocinnamates as PPAR agonists

  摘要：

  A series of 2-alkoxydihydrocinnamates were synthesized as PPAR gamma and PPAR alpha dual agonists. In vitro studies in cell model showed that these compounds were efficacious. Compound 1g was found to be a potent PPAR alpha/gamma dual agonist and will be further evaluated for the treatment of type II diabetes. (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.10.104
• 作为产物：
  描述：

  甲氧基乙酸乙酯 在 palladium on activated charcoal potassium tert-butylate 、 氢气 、 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 生成 3-{4-[2-(4'-Bromo-biphenyl-4-yloxy)-ethoxy]-phenyl}-2-methoxy-propionic acid ethyl ester
  参考文献：
  名称：

  Design, synthesis, and evaluation of 2-alkoxydihydrocinnamates as PPAR agonists

  摘要：

  A series of 2-alkoxydihydrocinnamates were synthesized as PPAR gamma and PPAR alpha dual agonists. In vitro studies in cell model showed that these compounds were efficacious. Compound 1g was found to be a potent PPAR alpha/gamma dual agonist and will be further evaluated for the treatment of type II diabetes. (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.10.104