2-(2-(2-((2-Chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)amino)ethyl)benzofuran-5-yl)acetic acid | 609849-05-0

• 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-5-yl)acetic acid
• 英文别名: 2-[2-[2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]ethyl]-1-benzofuran-5-yl]acetic acid
• CAS: 609849-05-0
• 化学式: C₃₄H₂₉ClF₃NO₃
• 分子量: 592.057
• InChiKey: AANMNNSUDXTLGF-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-5-yl]acetate 在 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 以43%的产率得到2-(2-(2-((2-Chloro-3-(trifluoromethyl)benzyl)(2,2-diphenylethyl)amino)ethyl)benzofuran-5-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

• Compounds and methods
  申请人：Thompson K Scott

  公开号：US20050165045A1

  公开（公告）日：2005-07-28

  Disclosed is a compound of having the formula: pharmaceutically acceptable salts or solvates thereof and pharmaceutical compositions containing the same, wherein the structural variables are as defined herein. The compounds, salts and solvates of this invention are useful as LXR agonists.

  本发明揭示了一种化合物，其具有以下公式：其中结构变量如本文所定义，其药学上可接受的盐或溶剂化物以及含有其的制药组合物。本发明的化合物、盐和溶剂化物可用作LXR激动剂。
• Methods and compositions to promote bone homestasis
  申请人：Van Rompaey Luc

  公开号：US20060020036A1

  公开（公告）日：2006-01-26

  The present invention relates to a method for promoting osteogenesis by contacting osteoblast progenitor cells with an LXR agonist. Said method is useful for the treatment or prevention of an imbalance in bone homeostasis in a subject using bone homeostasis-promoting compositions comprising an effective osteogenic stimulating amount of an LXR agonist in admixture with a pharmaceutically acceptable carrier. A further aspect is a method to produce bone tissue in vitro by contacting an LXR agonist with a population of osteoblast progenitor cells on a substrate, for a time sufficient to stimulate the generation of a matrix of bone tissue.

  本发明涉及一种通过使成骨细胞祖细胞与 LXR 激动剂接触来促进成骨的方法。所述方法可用于使用骨平衡促进组合物治疗或预防受试者骨平衡失调，该组合物包含有效成骨刺激量的 LXR 激动剂，并与药学上可接受的载体混合。另一个方面是一种体外生成骨组织的方法，其方法是将 LXR 激动剂与基质上的成骨祖细胞群接触，接触时间足以刺激骨组织基质的生成。
• CERTAIN PHARMACEUTICALLY USEFUL SUBSTITUTED AMINOALKYL HETEROCYCLES
  申请人：SmithKline Beecham Corporation

  公开号：EP1490047A2

  公开（公告）日：2004-12-29
• EP1490047A4
  申请人：——

  公开号：EP1490047A4

  公开（公告）日：2006-01-04
• LXR AGONISTS TO PROMOTE BONE HOMEOSTASIS
  申请人：Galapagos N.V.

  公开号：EP1758651A2

  公开（公告）日：2007-03-07