3-[2-[3-isopropyl-6-(trifluoromethyl)benzothiophen-2-yl]-ethyl]-5-methylbenzisoxazol-6-yloxyacetic acid | 1192043-20-1

• 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: 3-[2-[3-isopropyl-6-(trifluoromethyl)benzothiophen-2-yl]-ethyl]-5-methylbenzisoxazol-6-yloxyacetic acid
• 英文别名: [3-[2-[3-Isopropyl-6-(trifluoromethyl)benzothiophen-2-yl]ethyl]-5-methylbenzisoxazol-6-yloxy]acetic acid；2-[[5-methyl-3-[2-[3-propan-2-yl-6-(trifluoromethyl)-1-benzothiophen-2-yl]ethyl]-1,2-benzoxazol-6-yl]oxy]acetic acid
• CAS: 1192043-20-1
• 化学式: C₂₄H₂₂F₃NO₄S
• 分子量: 477.504
• InChiKey: VRKUITRXGDZRRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  ethyl 3-[2-[3-isopropyl-6-(trifluoromethyl)benzothiophen-2-yl]ethyl]-5-methylbenzisoxazol-6-yloxyacetate 、 sodium hydroxide 、 盐酸 在 Ice 、 乙酸乙酯 、 Brine 、 Sodium sulfate-III 、 chloroform methanol 作用下， 以 乙醇 为溶剂， 反应 20.0h， 以to give the title compound (370 mg) as pale yellow crystals的产率得到3-[2-[3-isopropyl-6-(trifluoromethyl)benzothiophen-2-yl]-ethyl]-5-methylbenzisoxazol-6-yloxyacetic acid
  参考文献：
  名称：

  Use of PPAR Delta Ligands for the Treatment or Prevention of Inflammation or Energy Metabolism/Production Related Diseases

  摘要：

  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。

  公开号：

  US20110092517A1

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：EP2277874B1

  公开（公告）日：2018-06-27
• 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
• US8648208B2
  申请人：——

  公开号：US8648208B2

  公开（公告）日：2014-02-11
• [EN] USE OF PPAR DELTA LIGANDS FOR THE TREATMENT OR PREVENTION OF INFLAMMATION OR ENERGY METABOLISM/PRODUCTION RELATED DISEASES<br/>[FR] UTILISATION DES LIGANDS PPAR? DANS LE TRAITEMENT OU LA PRÉVENTION D'INFLAMMATIONS OU DE MALADIES ASSOCIÉES AU MÉTABOLISME/PRODUCTION ÉNERGÉTIQUE
  申请人：CERENIS THERAPEUTICS S A

  公开号：WO2011020001A2

  公开（公告）日：2011-02-17

  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.