2-ethoxy-3-(4-2-[4-(3-trifluoromethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxyphenyl)propanoic acid | 1075742-05-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-ethoxy-3-(4-2-[4-(3-trifluoromethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxyphenyl)propanoic acid
• 英文别名: 2-ethoxy-3-(4-(2-(4-(3-(trifluoromethyl)phenyl)-5,6-dihydropyridin-1(2H)-yl)ethoxy)phenyl)propanoic acid；2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoic acid
• CAS: 1075742-05-0
• 化学式: C₂₅H₂₈F₃NO₄
• 分子量: 463.497
• InChiKey: OKFKMKHSDAABJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  ethyl 2-ethoxy-3-[4-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]propanoate 在 lithium hydroxide monohydrate 作用下， 以 四氢呋喃 为溶剂， 生成 2-ethoxy-3-(4-2-[4-(3-trifluoromethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxyphenyl)propanoic acid
  参考文献：
  名称：

  Design, synthesis, and evaluation of novel aryl-tetrahydropyridine PPARα/γ dual agonists

  摘要：

  Aryl-tetrahydropyridine derivatives were prepared and their PPAR alpha/gamma dual agonistic activities were evaluated. Among them, compound (S)-5b was identified as a potent PPAR alpha/gamma dual agonist with an EC50 of 1.73 and 0.64 mu M in hPPAR alpha and gamma, respectively. In diabetic (db/db) mice, compound (S)-5b showed good glucose lowering efficacy and favorable pharmacokinetic properties. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.020