ethyl 2-[4-[3-[4-[4-(4-methoxybenzoyl)piperazin-1-ylmethyl]-2-(4-trifluoromethylphenyl)-5-thiazolyl]propionyl]-2-methylphenoxy]-2-methylpropionate | 915716-04-0

• 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: ethyl 2-[4-[3-[4-[4-(4-methoxybenzoyl)piperazin-1-ylmethyl]-2-(4-trifluoromethylphenyl)-5-thiazolyl]propionyl]-2-methylphenoxy]-2-methylpropionate
• 英文别名: Ethyl 2-[4-[3-[4-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoate
• CAS: 915716-04-0
• 化学式: C₃₉H₄₂F₃N₃O₆S
• 分子量: 737.84
• InChiKey: DVFBSWZMHDYNPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  52
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  127
• 氢给体数：
  0
• 氢受体数：
  12

文献信息

• 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]。
• 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。