2-(3-chloro-4-{[2-(3-chloro-phenyl)-5-methyl-oxazol-4-ylmethyl]-ethyl-amino}-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(3-chloro-4-{[2-(3-chloro-phenyl)-5-methyl-oxazol-4-ylmethyl]-ethyl-amino}-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
• 英文别名: 2-(3-Chloro-4-(((2-(3-chlorophenyl)-5-methyloxazol-4-yl)methyl)(ethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol；2-[3-chloro-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-ethylamino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
• 化学式: C₂₂H₁₈Cl₂F₆N₂O₂
• 分子量: 527.294
• InChiKey: KNISWKWBHJJIBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  49.5
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-(4-氨基苯)-1,1,1,3,3,3-六氟-2-丙醇 在 吡啶 、 N-氯代丁二酰亚胺 、 硼烷四氢呋喃络合物 作用下， 以 丙醇 为溶剂， 生成 2-(3-chloro-4-{[2-(3-chloro-phenyl)-5-methyl-oxazol-4-ylmethyl]-ethyl-amino}-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
  参考文献：
  名称：

  Synthesis and evaluation of anilinohexafluoroisopropanols as activators/modulators of LXRα and β

  摘要：

  A series of branched and unbranched anilinohexafluoroisopropanols related to the known sulfonamide T0901317 were prepared and evaluated as activators/modulators of both LXR alpha and LXR beta. A structure-activity relationship was established and compounds with high potency on both the receptors were identified. Many compounds showed a tendency toward selectivity for LXR beta versus LXR alpha. Several analogues were evaluated for effects on plasma lipoprotein levels in mice. A few of these significantly raised HDL-cholesterol levels in plasma but showed markedly different effects on liver triglyceride content, suggesting that this series may yield candidates with improved efficacy/safety profiles compared to existing molecules. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.081

文献信息

• Novel hexafluoroisopropanol derivatives
  申请人：Dehmlow Henrietta

  公开号：US20060004068A1

  公开（公告）日：2006-01-05

  The invention is concerned with novel hexafluoroisopropanol derivatives of formula (I) wherein R 1 to R 6 , m and n are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds bind to LXR alpha and LXR beta and can be used as medicaments.

  这项发明涉及式(I)的新型六氟异丙醇衍生物，其中R1至R6，m和n如描述和索赔中所定义，以及其生理上可接受的盐和酯。这些化合物结合到LXR alpha和LXR beta，并可用作药物。
• NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES
  申请人：Dehmlow Henrietta

  公开号：US20100004297A1

  公开（公告）日：2010-01-07

  The invention is concerned with novel hexafluoroisopropanol derivatives of formula (I) wherein R 1 to R 6 , m and n are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds bind to LXR alpha and LXR beta and can be used as medicaments.

  本发明涉及一种新型的六氟异丙醇衍生物，其化学式为（I），其中R1至R6，m和n的定义如说明书和权利要求中所述，以及其生理学上可接受的盐和酯。这些化合物与LXR alpha和LXR beta结合，并可用作药物。
• 新規なヘキサフルオロイソプロパノール誘導体
  申请人：エフ.ホフマン−ラ ロシュ アーゲー

  公开号：JP4809338B2

  公开（公告）日：2008-02-14
• US7259178B2
  申请人：——

  公开号：US7259178B2

  公开（公告）日：2007-08-21
• US7608721B2
  申请人：——

  公开号：US7608721B2

  公开（公告）日：2009-10-27