((1S)-5-{3-[[2-(4-ethylphenyl)-6-methyl-4-pyrimidinyl](methyl)amino]propoxy}-2,3-dihydro-1H-inden- 1-yl)aceticacid

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: ((1S)-5-{3-[[2-(4-ethylphenyl)-6-methyl-4-pyrimidinyl](methyl)amino]propoxy}-2,3-dihydro-1H-inden- 1-yl)aceticacid
• 英文别名: ((1S)-5-{3-[[2-(4-ethylphenyl)-6-methyl-4-pyrimidinyl](methyl)amino]propoxy}-2,3-dihydro-1H-inden-1-yl)acetic acid；(S)-2-(5-(3-((2-(4-ethylphenyl)-6-methylpyrimidin-4-yl)(methyl)amino)propoxy)-2,3-dihydro-1H-inden-1-yl)acetic acid；2-[(1S)-5-[3-[[2-(4-ethylphenyl)-6-methylpyrimidin-4-yl]-methylamino]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
• 化学式: C₂₈H₃₃N₃O₃
• 分子量: 459.588
• InChiKey: VWFWVFILCXWTPJ-QHCPKHFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  75.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,4-二氯-6-甲基嘧啶 在 lithium hydroxide 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 sodium hydride 、 碳酸氢钠 、 sodium carbonate 、 三苯基膦 、 1,1'-azodicarbonyl-dipiperidine 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醇 、 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 ((1S)-5-{3-[[2-(4-ethylphenyl)-6-methyl-4-pyrimidinyl](methyl)amino]propoxy}-2,3-dihydro-1H-inden- 1-yl)aceticacid
  参考文献：
  名称：

  Indanylacetic acid derivatives carrying aryl-pyridyl and aryl-pyrimidinyl tail groups—new classes of PPAR γ/δ and PPAR α/γ/δ agonists

  摘要：

  Modulation of PPAR activities represents an attractive approach for the treatment of diabetes with associated cardiovascular complications. The indanylacetic acid structural motif has proven useful in the generation of potent and tunable PPAR ligands. Modification of the substituents on the linker and the heterocycle tail group allowed for the modulation of the selectivity at the different receptor subtypes. Compound 33 was evaluated in vivo, where it displayed the desired reduction of glucose levels and increase in HDL levels in various animal models. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.025

文献信息

• Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation
  申请人：Cantin Louis-David

  公开号：US20060084680A1

  公开（公告）日：2006-04-20

  This invention relates to novel indane acetic acid derivatives which are useful in the treatment of diseases such as diabetes, obesity, hyperlipidemia, and atherosclerotic diseases. The invention also relates to intermediates useful in preparation of indane acetic derivatives and to methods of preparation.

  本发明涉及一种新型的茚三酸衍生物，其可用于治疗糖尿病、肥胖症、高脂血症和动脉粥样硬化等疾病。本发明还涉及用于制备茚三酸衍生物的中间体以及制备方法。
• METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES
  申请人：Delmedico Mary Katherine

  公开号：US20120141483A1

  公开（公告）日：2012-06-07

  The present invention provides indane acetic acids and their derivatives and methods for the treatment and/or prevention of psoriasis and/or Alzheimer's diseases using the same.

  本发明提供了茚乙酸及其衍生物，以及使用它们治疗和/或预防牛皮癣和/或阿尔茨海默病的方法。
• INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION
  申请人：Bayer Pharmaceuticals Corporation

  公开号：EP1578715B1

  公开（公告）日：2011-03-02
• METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES
  申请人：T3D Therapeutics, Inc.

  公开号：EP3548023A1

  公开（公告）日：2019-10-09
• US7714004B2
  申请人：——

  公开号：US7714004B2

  公开（公告）日：2010-05-11