3-[1-(6-Chloro-benzo[d]isoxazol-3-yl)-2-methyl-5-trifluoromethoxy-1H-indol-3-yloxy]-phenol | 668489-65-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-[1-(6-Chloro-benzo[d]isoxazol-3-yl)-2-methyl-5-trifluoromethoxy-1H-indol-3-yloxy]-phenol
• 英文别名: 3-[1-(6-Chloro-1,2-benzoxazol-3-yl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]oxyphenol
• CAS: 668489-65-4
• 化学式: C₂₃H₁₄ClF₃N₂O₄
• 分子量: 474.823
• InChiKey: SGNXLIQJWHSTBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  69.6
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-[1-(6-Chloro-benzo[d]isoxazol-3-yl)-2-methyl-5-trifluoromethoxy-1H-indol-3-yloxy]-phenol 、 alkaline earth salt of/the/ methylsulfuric acid 在 三苯基膦 、 偶氮二甲酸二乙酯 、 sodium hydroxide 作用下， 生成 (S)-2-{3-[1-(6-Chloro-benzo[d]isoxazol-3-yl)-2-methyl-5-trifluoromethoxy-1H-indol-3-yloxy]-phenoxy}-propionic acid
  参考文献：
  名称：

  Selective PPARγ modulators with improved pharmacological profiles

  摘要：

  A series of metabolically robust N-benzyl-indole selective PPAR gamma modulators with either a 3-benzoyl or 3-benzisoxazoyl moiety have been identified. In vitro, these compounds are partial agonists and exhibit reduced adipogenesis in human adipocytes. In vivo, these SPPAR gamma Ms result in potent glucose lowering in db/db mice and attenuate increases in heart weight and brown adipose tissue that is typically observed in rats upon treatment with PPAR gamma full agonists. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.092
• 作为产物：
  描述：

  3,6-二氯苯并[d]异噁唑 在 三溴化硼 、 caesium carbonate 作用下， 生成 3-[1-(6-Chloro-benzo[d]isoxazol-3-yl)-2-methyl-5-trifluoromethoxy-1H-indol-3-yloxy]-phenol
  参考文献：
  名称：

  Selective PPARγ modulators with improved pharmacological profiles

  摘要：

  A series of metabolically robust N-benzyl-indole selective PPAR gamma modulators with either a 3-benzoyl or 3-benzisoxazoyl moiety have been identified. In vitro, these compounds are partial agonists and exhibit reduced adipogenesis in human adipocytes. In vivo, these SPPAR gamma Ms result in potent glucose lowering in db/db mice and attenuate increases in heart weight and brown adipose tissue that is typically observed in rats upon treatment with PPAR gamma full agonists. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.092

文献信息

• US7393960B2
  申请人：——

  公开号：US7393960B2

  公开（公告）日：2008-07-01