Ethyl 4-[3-[4-[4-(4-methoxyphenyl)piperazin-1-ylmethyl]-2-(4-trifluoromethylphenyl)-5-thiazolyl]propionyl]-2-methylphenoxyacetate | 915715-93-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Ethyl 4-[3-[4-[4-(4-methoxyphenyl)piperazin-1-ylmethyl]-2-(4-trifluoromethylphenyl)-5-thiazolyl]propionyl]-2-methylphenoxyacetate
• 英文别名: ethyl 2-[4-[3-[4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]acetate
• CAS: 915715-93-4
• 化学式: C₃₆H₃₈F₃N₃O₅S
• 分子量: 681.776
• InChiKey: PELOIDUUVFYJNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  48
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  3-[4-chloromethyl-2-(4-trifluoromethylphenyl)-5-thiazolyl]-1-(4-hydroxy-3-methylphenyl)propan-1-one 在 potassium carbonate 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 40.0h， 生成 Ethyl 4-[3-[4-[4-(4-methoxyphenyl)piperazin-1-ylmethyl]-2-(4-trifluoromethylphenyl)-5-thiazolyl]propionyl]-2-methylphenoxyacetate
  参考文献：
  名称：

  ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR

  摘要：

  具有以下化学式或其盐的化合物被用作PPAR的激活剂：[其中W2代表键，C(C=O)或CH2；Z2代表氧原子或硫原子；R21、R22和R23分别代表氢原子，具有1至8个碳原子的烷基基团，具有1至8个碳原子的烷氧基团，卤素原子，具有1至8个碳原子的烷基基团，该基团被卤素原子或类似物取代；R24和R25分别代表氢原子，具有1至8个碳原子的烷基基团或具有1至8个碳原子的烷基基团，该基团被卤素原子取代]。

  公开号：

  EP1897872A1

文献信息

• Activator for Peroxisome Proliferator-Activated Receptor
  申请人：Sakuma Shogo

  公开号：US20090203908A1

  公开（公告）日：2009-08-13

  A compound having the following formula or its salt is used as an activator for PPAR: in which W 2 represents a bond, C(═O) or CH 2 ; Z 2 represents an oxygen or sulfur atom; R 21 , R 22 and R 23 independently represent a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, an alkoxy group having 1 to 8 carbon atoms, a halogen atom, an alkyl group having 1 to 8 carbon atoms which is substituted with a halogen atom or the like; and R 24 and R 25 independently represent a hydrogen atom, an alkyl group having 1 to 8 carbon atoms or an alkyl group having 1 to 8 carbon atoms which is substituted with a halogen atom.

  以下化合物或其盐被用作PPAR的激活剂：其中W2代表一个化学键，C（═O）或CH2; Z2代表一个氧原子或硫原子; R21、R22和R23独立地代表氢原子、具有1至8个碳原子的烷基、具有1至8个碳原子的烷氧基、卤素原子、具有1至8个碳原子的烷基，该烷基被卤素原子或类似物取代; R24和R25独立地代表氢原子、具有1至8个碳原子的烷基或具有1至8个碳原子的烷基，该烷基被卤素原子取代。
• ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP1897872A1

  公开（公告）日：2008-03-12

  A compound having the following formula or its salt is used as an activator for PPAR: [in which W2 represents a bond, C(C=O) or CH2; Z2 represents an oxygen or sulfur atom; R21, R22 and R23 independently represent a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, an alkoxy group having 1 to 8 carbon atoms, a halogen atom, an alkyl group having 1 to 8 carbon atoms which is substituted with a halogen atom or the like; and R24 and R25 independently represent a hydrogen atom, an alkyl group having 1 to 8 carbon atoms or an alkyl group having 1 to 8 carbon atoms which is substituted with a halogen atom].

  具有以下化学式或其盐的化合物被用作PPAR的激活剂：[其中W2代表键，C(C=O)或CH2；Z2代表氧原子或硫原子；R21、R22和R23分别代表氢原子，具有1至8个碳原子的烷基基团，具有1至8个碳原子的烷氧基团，卤素原子，具有1至8个碳原子的烷基基团，该基团被卤素原子或类似物取代；R24和R25分别代表氢原子，具有1至8个碳原子的烷基基团或具有1至8个碳原子的烷基基团，该基团被卤素原子取代]。