3-[3-[2-[3-isopropyl-6-(trifluoromethyl)benzothiophen-2-yl]-ethyl]-5-methylbenzisoxazol-6-yl]propionic acid | 1192043-22-3

• 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: 3-[3-[2-[3-isopropyl-6-(trifluoromethyl)benzothiophen-2-yl]-ethyl]-5-methylbenzisoxazol-6-yl]propionic acid
• 英文别名: 3-[3-[2-[3-Isopropyl-6-(trifluoromethyl)benzothiophen-2-yl]ethyl]-5-methylbenzisoxazol-6-yl]propionic acid；3-[5-methyl-3-[2-[3-propan-2-yl-6-(trifluoromethyl)-1-benzothiophen-2-yl]ethyl]-1,2-benzoxazol-6-yl]propanoic acid
• CAS: 1192043-22-3
• 化学式: C₂₅H₂₄F₃NO₃S
• 分子量: 475.532
• InChiKey: FGCPUJYMGNTQJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  33
• 可旋转键数：
  7
• 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

反应信息

• 作为产物：
  描述：

  3-[3-[2-[3-isopropyl-6-(trifluoromethyl)benzothiophen-2-yl]ethyl]-5-methylbenzisoxazol-6-yl]acrylic acid 在 一水合肼 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 4.0h， 以78%的产率得到3-[3-[2-[3-isopropyl-6-(trifluoromethyl)benzothiophen-2-yl]-ethyl]-5-methylbenzisoxazol-6-yl]propionic acid
  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。
• Use of PPAR Delta Ligands for the Treatment or Prevention of Inflammation or Energy Metabolism/Production Related Diseases
  申请人：Barbaras Ronald

  公开号：US20110092517A1

  公开（公告）日：2011-04-21

  Provided herein are methods for treatment, prevention, or amelioration of one or more symptoms of a disease or condition related to disorders of insulin and/or glucose metabolism, inflammatory conditions, mitochondrial disease, muscle disorders, or pulmonary disorders, involving administering a PPARδ agonist or a pharmaceutical composition comprising a PPARδ agonist. In one embodiment, the disease or condition is selected from myopathy, inflammatory vascular diseases, Parkinson's and Alzheimer's diseases, systemic inflammatory disorders, renal ischemia, inflammatory rheumatic disorders, and inflammatory diseases of the lung. In another embodiment, methods for increasing oxidative muscle fibers, reducing mitochondria disease, decreasing insulin resistance, decreasing plasma glucose, or decreasing weight, involving administering a PPARδ agonist or a pharmaceutical composition comprising a PPARδ agonist, are provided.

  本文提供了治疗、预防或改善与胰岛素和/或葡萄糖代谢紊乱、炎症性疾病、线粒体病、肌肉疾病或肺部疾病相关的一种或多种症状的方法，其中涉及给予一种PPARδ激动剂或含有PPARδ激动剂的制剂。在一种实施例中，所述疾病或症状被选自肌无力、炎症性血管疾病、帕金森和阿尔茨海默病、全身性炎症性疾病、肾脏缺血、炎症性风湿病和肺部炎症性疾病。在另一种实施例中，提供了通过给予PPARδ激动剂或含有PPARδ激动剂的制剂来增加氧化肌纤维、减少线粒体疾病、降低胰岛素抵抗、降低血浆葡萄糖或减轻体重的方法。
• 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。
• 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。
• USE OF PPAR DELTA LIGANDS FOR THE TREATMENT OR PREVENTION OF INFLAMMATION OR ENERGY METABOLISM/PRODUCTION RELATED DISEASES
  申请人：Cerenis Therapeutics S.A.

  公开号：EP2464349A2

  公开（公告）日：2012-06-20