(2R)-7-(3-(2-Chloro-4-(4,4-dimethylcyclohexyl)phenoxy)propoxy)-2-ethylchromane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (2R)-7-(3-(2-Chloro-4-(4,4-dimethylcyclohexyl)phenoxy)propoxy)-2-ethylchromane-2-carboxylic acid
• 英文别名: (R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phenoxy]-propoxy}-2-ethyl-chroman-2-carboxylic acid；(2R)-7-[3-[2-chloro-4-(4,4-dimethylcyclohexyl)phenoxy]propoxy]-2-ethyl-3,4-dihydrochromene-2-carboxylic acid
• 化学式: C₂₉H₃₇ClO₅
• 分子量: 501.063
• InChiKey: WDMMWNUGDTVAIZ-GDLZYMKVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4,4-二甲基环己酮 在 palladium on activated charcoal 盐酸 、 sodium hydroxide 、 二异丁胺 、 磺酰氯 、 氢气 、 caesium carbonate 、 magnesium 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 12.0h， 生成 (2R)-7-(3-(2-Chloro-4-(4,4-dimethylcyclohexyl)phenoxy)propoxy)-2-ethylchromane-2-carboxylic acid
  参考文献：
  名称：

  (2R)-2-Methylchromane-2-carboxylic acids: Discovery of selective PPARα agonists as hypolipidemic agents

  摘要：

  A SAR study was conducted on chromane-2-carboxylic acid toward selective PPAR alpha agonisim. As a result, highly potent, and selective PPAR alpha agonists were discovered. The optimized compound 43 exhibited robust lowering of total cholesterol levels in hamster and dog animal models. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.028

文献信息

• Benzopyrancarboxylic acid derivatives for the treatment of diabetes and lipid disorders
  申请人：——

  公开号：US20020103242A1

  公开（公告）日：2002-08-01

  A class of benzopyrancarboxylic acid derivatives comprises compounds that are potent agonists of PPAR alpha and/or gamma, and are therefore useful in the treatment, control or prevention of non-insulin dependent diabetes mellitus (NIDDM), hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, atherosclerosis, obesity, vascular restenosis, inflammation, and other PPAR alpha and/or gamma mediated diseases, disorders and conditions.

  一类苯并吡喃羧酸衍生物包括具有强效PPAR alpha和/或gamma激动剂作用的化合物，因此在治疗、控制或预防非胰岛素依赖型糖尿病（NIDDM）、高血糖、血脂异常、高脂血症、高胆固醇血症、高三酸甘油脂血症、动脉粥样硬化、肥胖、血管再狭窄、炎症以及其他PPAR alpha和/或gamma介导的疾病、疾病和疾病状态中具有用处。
• BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS
  申请人：Merck & Co., Inc.

  公开号：EP1347755A2

  公开（公告）日：2003-10-01
• US6713508B2
  申请人：——

  公开号：US6713508B2

  公开（公告）日：2004-03-30
• [EN] BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS<br/>[FR] DERIVES D'ACIDE BENZOPYRANOCARBOXYLIQUE POUR TRAITER LE DIABETE ET D'AUTRES TROUBLES LIPIDIQUES
  申请人：MERCK & CO INC

  公开号：WO2002060434A2

  公开（公告）日：2002-08-08

  A class of benzopyrancarboxylic acid derivatives of formula I comprises compounds that are potent agonists of PPAR alpha and/or gamma, and are therefore useful in the treatment, control or prevention of non-insulin dependent diabetes mellitus (NIDDM), hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, atherosclerosis, obesity, vascular restenosis, inflammation, and other PPAR alpha and/or gamma mediated diseases, disorders and conditions.