Tert-butyl 3-(2-ethyl-4-hydroxyphenyl)propanoate | 948588-50-9

• 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: Tert-butyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
• CAS: 948588-50-9
• 化学式: C₁₅H₂₂O₃
• 分子量: 250.338
• InChiKey: UWPQROKBKTVWTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 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：

  Tert-butyl 3-(2-ethyl-4-hydroxyphenyl)propanoate 在 三氟乙酸 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 3-(4-(2-(Benzo[d]thiazol-2-yl(benzyl)amino)ethoxy)-2-ethylphenyl)propanoic acid
  参考文献：
  名称：

  Phenylpropanoic acid derivatives bearing a benzothiazole ring as PPARδ-selective agonists

  摘要：

  To find novel PPAR delta-selective agonists, we designed and synthesized phenylpropanoic acid derivatives bearing 6-substituted benzothiazoles. Optimization of this series led to the identification of a potent and selective PPAR delta agonist 17. Molecular modeling suggested that compound 17 occupies the Y-shaped pocket of PPAR6 appropriately. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.017
• 作为产物：
  描述：

  3-乙基苯酚 在 palladium diacetate 、 palladium on activated charcoal 盐酸 、 potassium iodate 、 氢气 、 三乙胺 、 三(邻甲基苯基)磷 、 potassium iodide 作用下， 以 甲醇 为溶剂， 生成 Tert-butyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
  参考文献：
  名称：

  Phenylpropanoic acid derivatives bearing a benzothiazole ring as PPARδ-selective agonists

  摘要：

  To find novel PPAR delta-selective agonists, we designed and synthesized phenylpropanoic acid derivatives bearing 6-substituted benzothiazoles. Optimization of this series led to the identification of a potent and selective PPAR delta agonist 17. Molecular modeling suggested that compound 17 occupies the Y-shaped pocket of PPAR6 appropriately. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.017

文献信息

• MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR)
  申请人：Gossett Lynn Stacy

  公开号：US20080167310A1

  公开（公告）日：2008-07-10

  The present invention is directed to a compound of formula I, and pharmaceutically acceptable salts, solvates, hydrates or stereoisomer thereof, which are useful in treating Syndrome X, Type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis, and other disorders related to Syndrome X as well as cardiovascular diseases.

  本发明涉及公式I的化合物及其药学上可接受的盐、溶剂化合物、水合物或立体异构体，其可用于治疗X综合症、II型糖尿病、高血糖、高血脂、肥胖症、凝血异常、高血压、动脉硬化以及与X综合症和心血管疾病有关的其他疾病。
• US7282501B2
  申请人：——

  公开号：US7282501B2

  公开（公告）日：2007-10-16
• Phenylpropanoic acid derivatives bearing a benzothiazole ring as PPARδ-selective agonists
  作者：Hiroki Fujieda、Shinya Usui、Takayoshi Suzuki、Hidehiko Nakagawa、Michitaka Ogura、Makoto Makishima、Naoki Miyata

  DOI：10.1016/j.bmcl.2007.05.017

  日期：2007.8

  To find novel PPAR delta-selective agonists, we designed and synthesized phenylpropanoic acid derivatives bearing 6-substituted benzothiazoles. Optimization of this series led to the identification of a potent and selective PPAR delta agonist 17. Molecular modeling suggested that compound 17 occupies the Y-shaped pocket of PPAR6 appropriately. (c) 2007 Elsevier Ltd. All rights reserved.