3-[5-methyl-3-[2-[3-propyl-6-(trifluoromethyl)benzothiophen-2-yl]ethyl]benzisoxazol-6-yl]propionic acid | 1192043-28-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 3-[5-methyl-3-[2-[3-propyl-6-(trifluoromethyl)benzothiophen-2-yl]ethyl]benzisoxazol-6-yl]propionic acid
• 英文别名: 3-[5-Methyl-3-[2-[3-propyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]ethyl]-1,2-benzoxazol-6-yl]propanoic acid
• CAS: 1192043-28-9
• 化学式: C₂₅H₂₄F₃NO₃S
• 分子量: 475.532
• InChiKey: XVSMKLFVEBWPBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  91.6
• 氢给体数：
  1
• 氢受体数：
  8

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。
• ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP2277874A1

  公开（公告）日：2011-01-26

  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.

  由式 (I) 代表的化合物或其药理学上可接受的盐可用作 PPAR 的激活剂。 其中 R1 和 R2 各为氢、C1-8 烷基、被卤素取代的 C1-8 烷基或类似物；R3、R4、R5 和 R6 各为氢、C1-8 烷基或类似物；X 为硫或类似物；Y 为氧、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 是缩合环，如苯并异噁唑，可以有取代基；m 是 1 至 4 的整数；n 是 0 至 5 的整数。
• WOUND-HEALING AGENT
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP3456327A1

  公开（公告）日：2019-03-20

  A wound-healing agent is provided by using a benzisoxazole compound represented by the following general formula (I), a tautomer, a stereoisomer, or a pharmaceutically acceptable salt of the compound, a solvate of any of the foregoing, or the like, which exerts a PPARδ agonist effect.

  通过使用由下式通式（I）代表的苯并异噁唑化合物、该化合物的同系物、立体异构体或药学上可接受的盐、上述任一化合物的溶液或类似物，提供了一种伤口愈合剂，该伤口愈合剂具有 PPARδ 激动剂的效果。
• US8648208B2
  申请人：——

  公开号：US8648208B2

  公开（公告）日：2014-02-11