2-[4-(Hydroxymethyl)phenoxy]-2-methylpropanoic acid | 1251117-93-7

• 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: 2-[4-(Hydroxymethyl)phenoxy]-2-methylpropanoic acid
• CAS: 1251117-93-7
• 化学式: C₁₁H₁₄O₄
• 分子量: 210.23
• InChiKey: LDUVTBWDSCVREM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl 2-(4-(hydroxymethyl)phenoxy)-2-methylpropanoate 在 sodium hydroxide 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 以94%的产率得到2-[4-(Hydroxymethyl)phenoxy]-2-methylpropanoic acid
  参考文献：
  名称：

  Synthesis and structure–activity relationships of fibrate-based analogues inside PPARs

  摘要：

  In an effort to develop safe and efficacious compounds for the treatment of metabolic disorders, new compounds based on a combination of clofibric acid, the active metabolite of clofibrate, and lipophilic groups derived from natural products chalcone and stilbene were synthesised. Some of them were found to be active at micromolar concentrations only on PPAR alpha or PPAR gamma, while others were identified as dual agonists PPAR alpha/gamma. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.111

文献信息

• [EN] D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE<br/>[FR] ANTAGONISTES D2, PROCÉDÉS DE SYNTHÈSE ET MÉTHODES D'UTILISATION
  申请人：ALTOS THERAPEUTICS LLC

  公开号：WO2011160084A1

  公开（公告）日：2011-12-22

  Provided are D2 or D3 antagonist compounds and pharmaceutical compositions of formula I and pharmaceutically acceptable salts thereof, or isomers thereof, wherein R1, R2 and R3 are as defined herein. The invention further comprises methods for making the compounds of the invention and methods for the treatment of conditions mediated by the dopamine D2 or D3 receptor from the compounds of the invention.

  提供了D2或D3拮抗剂化合物以及公式I和其药学上可接受的盐或异构体的药物组合物，其中R1、R2和R3如本文所定义。该发明还包括制备该发明化合物的方法以及利用该发明化合物治疗由多巴胺D2或D3受体介导的疾病的方法。
• D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE
  申请人：Altos Therapeutics, LLC

  公开号：EP2582701A1

  公开（公告）日：2013-04-24
• Synthesis and structure–activity relationships of fibrate-based analogues inside PPARs
  作者：Letizia Giampietro、Alessandra D’Angelo、Antonella Giancristofaro、Alessandra Ammazzalorso、Barbara De Filippis、Marialuigia Fantacuzzi、Pasquale Linciano、Cristina Maccallini、Rosa Amoroso

  DOI：10.1016/j.bmcl.2012.09.111

  日期：2012.12

  In an effort to develop safe and efficacious compounds for the treatment of metabolic disorders, new compounds based on a combination of clofibric acid, the active metabolite of clofibrate, and lipophilic groups derived from natural products chalcone and stilbene were synthesised. Some of them were found to be active at micromolar concentrations only on PPAR alpha or PPAR gamma, while others were identified as dual agonists PPAR alpha/gamma. (C) 2012 Elsevier Ltd. All rights reserved.