Methyl 2-(2-(ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)amino)-2-phenylethoxy)acetate | 913619-54-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Methyl 2-(2-(ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)amino)-2-phenylethoxy)acetate
• 英文别名: methyl 2-[2-[N-ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-2-phenylethoxy]acetate
• CAS: 913619-54-2
• 化学式: C₂₂H₂₃F₆NO₄
• 分子量: 479.419
• InChiKey: KPCMZDDOZHFXBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  Methyl 2-(2-(ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)amino)-2-phenylethoxy)acetate 在 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 2-(2-(Ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)amino)-2-phenylethoxy)acetic acid
  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
• 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 、 正丁基锂 、 硼烷四氢呋喃络合物 、 Li₂ClO₄ 、 四丁基氟化铵 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Methyl 2-(2-(ethyl(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)amino)-2-phenylethoxy)acetate
  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

• Synthesis and evaluation of anilinohexafluoroisopropanols as activators/modulators of LXRα and β
  作者：Narendra Panday、Jörg Benz、Denise Blum-Kaelin、Vanessa Bourgeaux、Henrietta Dehmlow、Peter Hartman、Bernd Kuhn、Hassen Ratni、Xavier Warot、Matthew B. Wright

  DOI：10.1016/j.bmcl.2006.06.081

  日期：2006.10

  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.