2-(2-(2-((2-Chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)amino)ethyl)benzofuran-6-yl)acetic acid | 609849-14-1

• 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: 2-(2-(2-((2-Chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)amino)ethyl)benzofuran-6-yl)acetic acid
• 英文别名: 2-[2-[2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]ethyl]-1-benzofuran-6-yl]acetic acid
• CAS: 609849-14-1
• 化学式: C₃₄H₂₉ClF₃NO₃
• 分子量: 592.057
• InChiKey: ZCCZMYDWILRCGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  42
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  53.7
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  Methyl 2-[2-[2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]ethyl]-1-benzofuran-6-yl]acetate 在 水 、 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 以65%的产率得到2-(2-(2-((2-Chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)amino)ethyl)benzofuran-6-yl)acetic acid
  参考文献：
  名称：

  The discovery of tertiary-amine LXR agonists with potent cholesterol efflux activity in macrophages

  摘要：

  The liver X receptors (LXR) play a key role in cholesterol homeostasis and lipid metabolism. SAR studies around tertiary-amine lead molecule 2, an LXR full agonist, revealed that steric and conformational changes to the acetic acid and propanolamine groups produce dramatic effects on agonist efficacy and potency. The new analogs possess good functional activity, demonstrating the ability to upregulate LXR target genes, as well as promote cholesterol efflux in macrophages. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.036

文献信息

• RXR AGONIST COMPOUNDS AND METHODS
  申请人：Landreth Gary E.

  公开号：US20120115912A1

  公开（公告）日：2012-05-10

  A method of treating a PPARγ and/or RXR related disease or disorder in a subject includes adminstering to the subject an RXR agonist alone or in combination with a PPARγ agonist.
• US7323494B2
  申请人：——

  公开号：US7323494B2

  公开（公告）日：2008-01-29
• [EN] RXR AGONIST COMPOUNDS AND METHODS<br/>[FR] COMPOSÉS AGONISTES DE RXR ET PROCÉDÉS ASSOCIÉS
  申请人：UNIV CASE WESTERN RESERVE

  公开号：WO2011006157A2

  公开（公告）日：2011-01-13

  A method of treating a PPARγ and/or RXR related disease or disorder in a subject includes administering to the subject an RXR agonist alone or in combination with a PPARγ agonist.
• [EN] RXR AGONISTS COMPOUNDS AND METHODS<br/>[FR] COMPOSÉS AGONISTES DE RXR ET PROCÉDÉS ASSOCIÉS
  申请人：UNIV CASE WESTERN RESERVE

  公开号：WO2013056232A2

  公开（公告）日：2013-04-18