methyl 3-[4-[1-[2-[3-isopropyl-6-(trifluoromethyl)-benzothiophen-2-yl]ethyl]vinyl]-2-methylphenyl]propionate | 1192043-77-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: methyl 3-[4-[1-[2-[3-isopropyl-6-(trifluoromethyl)-benzothiophen-2-yl]ethyl]vinyl]-2-methylphenyl]propionate
• 英文别名: methyl 3-[2-methyl-4-[4-[3-propan-2-yl-6-(trifluoromethyl)-1-benzothiophen-2-yl]but-1-en-2-yl]phenyl]propanoate
• CAS: 1192043-77-8
• 化学式: C₂₇H₂₉F₃O₂S
• 分子量: 474.587
• InChiKey: HKCLOJLOLCIJCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  trimethylphosphonium bromide 、 methyl 3-[4-[3-[3-isopropyl-6-(trifluoromethyl)-benzothiophen-2-yl]propionyl]-2-methylphenyl]propionate 在 sodium amide 作用下， 以 四氢呋喃 为溶剂， 反应 22.5h， 以36%的产率得到methyl 3-[4-[1-[2-[3-isopropyl-6-(trifluoromethyl)-benzothiophen-2-yl]ethyl]vinyl]-2-methylphenyl]propionate
  参考文献：
  名称：

  ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR

  摘要：

  公开号：

  EP2277874B1

文献信息

• ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR
  申请人：Sakuma Shogo

  公开号：US20110098480A1

  公开（公告）日：2011-04-28

  A compound represented by the formula (I) or a pharmacologically acceptable salt thereof is used as an activator of PPAR. wherein each of R 1 and R 2 is hydrogen, C 1-8 alkyl, C 1-8 alkyl substituted with halogen, or the like; each of R 3 , R 4 , R 5 , and R 6 is hydrogen, C 1-8 alkyl, or the like; X is sulfur or the like; Y is oxygen, a bond, or the like; p is 0 or 1; A is oxygen, CH 2 , N—NH 2 , or the like; when p is 1, B is phenyl, which can have a substituent; when p is 0, B is a condensed ring such as benzisoxazole, which can have a substituent; m is an integer of 1 to 4; and n is an integer of 0 to 5.

  化合物(I)或其药理学上可接受的盐被用作PPAR的激活剂，其中R1和R2中的每一个都是氢、C1-8烷基、以卤素取代的C1-8烷基或类似物；R3、R4、R5和R6中的每一个都是氢、C1-8烷基或类似物；X是硫或类似物；Y是氧、键或类似物；p为0或1；A是氧、CH2、N—NH2或类似物；当p为1时，B是苯基，可以有取代基；当p为0时，B是类似苯并异噁唑的融合环，可以有取代基；m是1至4的整数；n是0至5的整数。
• Activating agent for peroxisome proliferator activated receptor
  申请人：Sakuma Shogo

  公开号：US08648208B2

  公开（公告）日：2014-02-11

  A compound represented by the formula (I) or a pharmacologically acceptable salt thereof is used as an activator of PPAR wherein each of R1 and R2 is hydrogen, C1-8 alkyl, C1-8 alkyl substituted with halogen, or the like; each of R3, R4, R5, and R6 is hydrogen, C1-8 alkyl, or the like; X is sulfur or the like; Y is oxygen, a bond, or the like; p is 0 or 1; A is oxygen, CH2, N—NH2, or the like; when p is 1, B is phenyl, which can have a substituent; when p is 0, B is a condensed ring such as benzisoxazole, which can have a substituent; m is an integer of 1 to 4; and n is an integer of 0 to 5.

  化合物(I)或其药理学上可接受的盐被用作PPAR的激活剂，化合物的表示式为：其中R1和R2中的每一个都是氢、C1-8烷基、C1-8卤代烷基或类似物；R3、R4、R5和R6中的每一个都是氢、C1-8烷基或类似物；X是硫或类似物；Y是氧、键或类似物；p为0或1；A是氧、CH2、N—NH2或类似物；当p为1时，B是苯基，可以有取代基；当p为0时，B是类似苯并异噁唑的融合环，可以有取代基；m是1到4的整数；n是0到5的整数。
• US8648208B2
  申请人：——

  公开号：US8648208B2

  公开（公告）日：2014-02-11