methyl 2-(4-(3-hydroxypropoxy)phenoxy)-2-ethylbutanoate | 653563-86-1

• 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: methyl 2-(4-(3-hydroxypropoxy)phenoxy)-2-ethylbutanoate
• 英文别名: Methyl 2-ethyl-2-[4-(3-hydroxypropoxy)phenoxy]butanoate
• CAS: 653563-86-1
• 化学式: C₁₆H₂₄O₅
• 分子量: 296.364
• InChiKey: VGKJYVPCMVMNDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 2-(4-(3-hydroxypropoxy)phenoxy)-2-ethylbutanoate 在 sodium hydroxide 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 6.0h， 生成 2-(4-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-propoxy}-phenoxy)-2-ethyl-butyric acid
  参考文献：
  名称：

  Design and synthesis of potent and subtype-selective PPARα agonists

  摘要：

  Beginning with a moderately potent PPAR gamma agonist 9, a series of potent and highly subtype-selective PPAR alpha agonists was identified through a systematic SAR study. Based on the results of the efficacy studies in the hamster and dog models of dyslipidemia and the desired pharmacokinetic data, the optimized compound 39 was selected for further profiling. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.022
• 作为产物：
  描述：

  2-[4-(3-Benzyloxy-propoxy)-phenoxy]-2-ethyl-butyric acid methyl ester 在 palladium on activated charcoal 氢气 作用下， 生成 methyl 2-(4-(3-hydroxypropoxy)phenoxy)-2-ethylbutanoate
  参考文献：
  名称：

  Design and synthesis of potent and subtype-selective PPARα agonists

  摘要：

  Beginning with a moderately potent PPAR gamma agonist 9, a series of potent and highly subtype-selective PPAR alpha agonists was identified through a systematic SAR study. Based on the results of the efficacy studies in the hamster and dog models of dyslipidemia and the desired pharmacokinetic data, the optimized compound 39 was selected for further profiling. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.022

文献信息

• [EN] PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS<br/>[FR] COMPOSES PPAR ALPHA SELECTIFS DESTINES AU TRAITEMENT DE LA DYSLIPIDEMIE ET AUTRES
  申请人：MERCK & CO INC

  公开号：WO2004010992A1

  公开（公告）日：2004-02-05

  A class of chromane and chromene compounds having the structure shown below and pharmaceutically acceptable salts thereof are useful as therapeutic compounds, particularly in the treatment and control of hyperlipidemia, hypercholesterolemia, dyslipidemia, and other lipid disorders, and in delaying the onset of or reducing the risk of conditions and sequelae that are associated with these diseases, such as atherosclerosis.

  一类具有下面所示结构的咔曼和咔喹化合物及其药用盐可用作治疗化合物，特别是在治疗和控制高脂血症、高胆固醇血症、脂质代谢异常和其他脂质紊乱方面，以及延缓或减少与这些疾病相关的疾病和后遗症的发生，如动脉粥样硬化。
• Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders
  申请人：Desai C. Ranjit

  公开号：US20060089404A1

  公开（公告）日：2006-04-27

  A class of chromane and chromene compounds having the structure shown below and pharmaceutically acceptable salts thereof are useful as therapeutic compounds, particularly in the treatment and control of hyperlipidemia, hypercholesterolemia, dyslipidemia, and other lipid disorders, and in delaying the onset of or reducing the risk of conditions and sequelae that are associated with these diseases, such as atherosclerosis.

  一类具有下面所示结构的色满和色烯化合物及其药学上可接受的盐在治疗和控制高脂血症、高胆固醇血症、脂质代谢异常和其他脂质紊乱方面非常有用，并且可以延缓或降低与这些疾病相关的疾病和后遗症的发生风险，如动脉粥样硬化。
• PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS
  申请人：Merck & Co., Inc.

  公开号：EP1539137A1

  公开（公告）日：2005-06-15
• EP1539137A4
  申请人：——

  公开号：EP1539137A4

  公开（公告）日：2007-11-14
• US7297715B2
  申请人：——

  公开号：US7297715B2

  公开（公告）日：2007-11-20