4-methyl-2-m-tolyl-oxazole-5-carboxylic acid methyl ester | 866531-01-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-methyl-2-m-tolyl-oxazole-5-carboxylic acid methyl ester
• 英文别名: methyl 4-methyl-2-(3-methylphenyl)-1,3-oxazole-5-carboxylate
• CAS: 866531-01-3
• 化学式: C₁₃H₁₃NO₃
• 分子量: 231.251
• InChiKey: PADUGGJVWFSAAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氯乙酰乙酸甲酯 、 间甲苯乙酰胺 在 碳酸氢钠 、 水 、 Brine 、 magnesium sulfate 、 乙酸乙酯 、 正庚烷 作用下， 以 乙酸乙酯 为溶剂， 反应 12.0h， 以to give the title compound as a yellow oil (492 mg)的产率得到4-methyl-2-m-tolyl-oxazole-5-carboxylic acid methyl ester
  参考文献：
  名称：

  1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF

  摘要：

  本发明涉及1,3,4-噁二唑酮，化合物I的药学上可接受的盐、立体异构体、互变异构体或溶剂化物。新化合物包括式I中的基团如定义所述。本发明的化合物是PPARδ的调节剂，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的治疗剂。

  公开号：

  US20070060626A1

文献信息

• 1,3,4-oxadiazol-2-ones as PPAR delta modulators and their use thereof
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US07576109B2

  公开（公告）日：2009-08-18

  The present invention is directed to 1,3,4-oxadiazolones, 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中的基团如本文所定义。本发明的化合物是PPARδ调节剂，因此可用作药物制剂，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。
• [EN] 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS<br/>[FR] 1,3,4-OXADIAZOL-2-ONES UTILISES EN TANT QUE MODULATEURS DE PPAR DELTA ET UTILISATION ASSOCIEE
  申请人：AVENTIS PHARMA INC

  公开号：WO2005097762A3

  公开（公告）日：2005-12-15
• US7576109B2
  申请人：——

  公开号：US7576109B2

  公开（公告）日：2009-08-18
• [EN] 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF<br/>[FR] 1,3,4-OXADIAZOL-2-ONES UTILISES EN TANT QUE MODULATEURS DE PPAR DELTA ET UTILISATION ASSOCIEE
  申请人：AVENTIS PHARMA INC

  公开号：WO2005097762A2

  公开（公告）日：2005-10-20

  The present invention is directed to 1, 3, 4-oxadiazolones, 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.
• 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF
  申请人：MCGARRY G. Daniel

  公开号：US20070060626A1

  公开（公告）日：2007-03-15

  The present invention is directed to 1,3,4-oxadiazolones, 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的药学上可接受的盐、立体异构体、互变异构体或溶剂化物。新化合物包括式I中的基团如定义所述。本发明的化合物是PPARδ的调节剂，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的治疗剂。