ethyl 2-methyl-2-[2-methyl-4-[3-(3-methylbenzothiophen-2-yl)propionyl]phenoxy]propionate | 1192043-33-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 2-methyl-2-[2-methyl-4-[3-(3-methylbenzothiophen-2-yl)propionyl]phenoxy]propionate
• 英文别名: ethyl 2-methyl-2-[2-methyl-4-[3-(3-methyl-1-benzothiophen-2-yl)propanoyl]phenoxy]propanoate
• CAS: 1192043-33-6
• 化学式: C₂₅H₂₈O₄S
• 分子量: 424.561
• InChiKey: GTLQPGRCDVEXPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  80.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-溴-2-甲基丙酸乙酯 、 1-(4-hydroxy-3-methylphenyl)-3-(3-methylbenzothiophen-2-yl)propan-1-one 在 potassium carbonate 作用下， 以 丁酮 为溶剂， 反应 20.0h， 以72%的产率得到ethyl 2-methyl-2-[2-methyl-4-[3-(3-methylbenzothiophen-2-yl)propionyl]phenoxy]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
• ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP2277874B1

  公开（公告）日：2018-06-27