4-[5-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-4-ylethoxy]-benzoic acid methyl ester | 866534-36-3

• 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: 4-[5-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-4-ylethoxy]-benzoic acid methyl ester
• 英文别名: methyl 4-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]benzoate
• CAS: 866534-36-3
• 化学式: C₂₁H₁₈F₃NO₃S
• 分子量: 421.44
• InChiKey: JEJDTONGJGEBNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  76.7
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-[5-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-4-ylethoxy]-benzoic acid methyl ester 在 肼 作用下， 以 甲醇 为溶剂， 反应 66.0h， 生成 4-{2-[5-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-4-yl]-ethoxy}-benzoic acid hydrazide
  参考文献：
  名称：

  [EN] 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA
  [FR] 1,3,4-OXADIAZOL-2-ONES EN TANT QUE MODULATEURS DES PPAR DELTA ET LEUR UTILISATION

  摘要：

  公开号：

  WO2005097763A3
• 作为产物：
  描述：

  4-(2-hydroxy-ethyl)-5-methyl-2-(4-trifluoromethyl-phenyl)thiazole 、 对羟基苯甲酸甲酯 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 0.33h， 生成 4-[5-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-4-ylethoxy]-benzoic acid methyl ester
  参考文献：
  名称：

  [EN] 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA
  [FR] 1,3,4-OXADIAZOL-2-ONES EN TANT QUE MODULATEURS DES PPAR DELTA ET LEUR UTILISATION

  摘要：

  公开号：

  WO2005097763A3

文献信息

• 1, 3, 4-OXADIAZOL-2-ONES AS PEROXISOME-PROLIFERATOR ACTIVATED RECEPTOR DELTA MODULATORS AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL AND METABOLIC DISEASE
  申请人：McGarry G. Daniel

  公开号：US20070099964A1

  公开（公告）日：2007-05-03

  The present invention is directed to 1,3,4-oxadiazalones, i.e., the compounds of formula I and their pharmaceutically acceptable salts, stereoisomers, tautomers, or solvates thereof. Novel compounds include those of formula I, in which radicals are as defined herein. The compounds of this invention are modulators of PPARdelta and therefore useful as pharmaceutical agents, especially for the treatment of demyelinating diseases and disorders of fatty acid metabolism and glucose utilization such as multiple scleroses.

  本发明涉及1,3,4-噁二唑酮，即式I的化合物及其药学上可接受的盐、立体异构体、互变异构体或溶剂化物。新型化合物包括式I中的基团如定义所述。本发明中的化合物是PPARδ调节剂，因此可用作药物，特别是用于治疗脱髓鞘疾病和脂肪酸代谢和葡萄糖利用障碍，如多发性硬化症。
• 1, 3, 4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF
  申请人：MCGARRY Daniel G.

  公开号：US20090275621A1

  公开（公告）日：2009-11-05

  The present invention is directed to 1,3,4-oxadiazalones, compounds of formula I and their pharmaceutically acceptable salts stereoisomers, tautomers, or solvates thereof. Novel compounds include those of formula I, in which radicals are as defined herein. The compounds of this invention are modulators of PPARdelta and therefore useful as pharmaceutical agents, especially for the treatment of demyelinating diseases and disorders of fatty acid metabolism and glucose utilization.

  本发明涉及1,3,4-噁二唑酮，化合物I的及其药学上可接受的盐、立体异构体、互变异构体或溶剂化物。新颖的化合物包括公式I中的基团如定义所述。本发明的化合物是PPARδ调节剂，因此可作为药物，特别是用于治疗脱髓鞘性疾病和脂肪酸代谢和葡萄糖利用障碍的治疗。
• 1, 3, 4-oxadiazol-2-ones as PPAR delta modulators and their use thereof
  申请人：Aventis Parmaceuticals Inc.

  公开号：US07872032B2

  公开（公告）日：2011-01-18

  The present invention is directed to 1,3,4-oxadiazalones, compounds of formula I and their pharmaceutically acceptable salts stereoisomers, tautomers, or solvates thereof. Novel compounds include those of formula I, in which radicals are as defined herein. The compounds of this invention are modulators of PPARdelta and therefore useful as pharmaceutical agents, especially for the treatment of demyelinating diseases and disorders of fatty acid metabolism and glucose utilization.

  本发明涉及1,3,4-噁二唑酮，化合物I的配体及其药学上可接受的盐、立体异构体、互变异构体或其溶剂。新颖的化合物包括式I中的基团如定义在此处。本发明的化合物是PPARδ调节剂，因此可用作制药剂，特别是用于治疗脱髓鞘疾病和脂肪酸代谢和葡萄糖利用障碍的药物。
• 1, 3, 4-oxadiazol-2-ones as peroxisome-proliferator activated receptor delta modulators and their use in the treatment of neurological and metabolic disease
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US07638539B2

  公开（公告）日：2009-12-29

  The present invention is directed to 1,3,4-oxadiazalones, i.e., the compounds of formula I and their pharmaceutically acceptable salts, stereoisomers, tautomers, or solvates thereof. Novel compounds include those of formula I, in which radicals are as defined herein. The compounds of this invention are modulators of PPARdelta and therefore useful as pharmaceutical agents, especially for the treatment of demyelinating diseases and disorders of fatty acid metabolism and glucose utilization such as multiple scleroses.

  本发明涉及1,3,4-噁二唑酮，即公式I的化合物及其药学上可接受的盐、立体异构体、互变异构体或溶剂化物。新型化合物包括公式I中的基团如本文所定义的那样。本发明的化合物是PPARdelta调节剂，因此可作为药物剂量使用，特别是用于治疗脱髓鞘疾病和脂肪酸代谢和葡萄糖利用障碍的疾病，如多发性硬化症。
• 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS
  申请人：Aventis Pharmaceuticals Inc.

  公开号：EP1781648A2

  公开（公告）日：2007-05-09