Ethyl I+/--ethyl-4-hydroxybenzenepropanoate | 1075742-27-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Ethyl I+/--ethyl-4-hydroxybenzenepropanoate
• 英文别名: ethyl 2-[(4-hydroxyphenyl)methyl]butanoate
• CAS: 1075742-27-6
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: TXFYCQCPBISFEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  碳酸乙烯酯 、 Ethyl I+/--ethyl-4-hydroxybenzenepropanoate 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Ethyl 2-[[4-(2-hydroxyethoxy)phenyl]methyl]butanoate
  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

文献信息

• Design, synthesis, and evaluation of novel aryl-tetrahydropyridine PPARα/γ dual agonists
  作者：Eunkyung Kim、Chan Sun Park、Taedong Han、Myung-Ho Bae、Wonee Chong、Choong Hyun Lee、Young Ah Shin、Byung-Nak Ahn、Mi Kyung Kim、Chang Yell Shin、Moon Ho Son、Jin Kwan Kim、Ho Sang Moon、Hyun Joo Shim、Eun Jung Kim、Soon Hoe Kim、Joong In Lim、Chun Ho Lee

  DOI：10.1016/j.bmcl.2008.08.020

  日期：2008.9

  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.