[5-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-4-yl]-acetic acid ethyl ester | 866534-33-0

• 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: [5-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-4-yl]-acetic acid ethyl ester
• 英文别名: [5-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-4-yl]acetic acid ethyl ester；ethyl 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
• CAS: 866534-33-0
• 化学式: C₁₅H₁₄F₃NO₂S
• 分子量: 329.343
• InChiKey: QZQPLEJZVCQRFY-UHFFFAOYSA-N

物化性质

• 沸点：
  395.6±52.0 °C(Predicted)
• 密度：
  1.283±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  67.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [5-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-4-yl]-acetic acid ethyl ester 在 lithium aluminium tetrahydride 、 sodium hydroxide 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 4-(2-hydroxy-ethyl)-5-methyl-2-(4-trifluoromethyl-phenyl)thiazole
  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-溴-3-氧代戊酸乙酯 、 4-(三氟甲基)硫代苯甲酰胺 在 乙酸乙酯 、 正庚烷 作用下， 以 乙醇 为溶剂， 反应 0.33h， 以obtain the title compound as a white solid (1.4 g)的产率得到[5-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-4-yl]-acetic acid ethyl ester
  参考文献：
  名称：

  1, 3, 4-oxadiazol-2-ones as peroxisome-proliferator activated receptor delta modulators and their use in the treatment of neurological and metabolic disease

  摘要：

  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。

  公开号：

  US07638539B2

文献信息

• Substituted heteroaryl- and phenylsulfamoyl compounds
  申请人：Hamanaka S. Ernest

  公开号：US20050288340A1

  公开（公告）日：2005-12-29

  The present invention is directed at substituted heteroaryl- and phenylsulfamoyl compounds, pharmaceutical compositions containing such compounds and the use of such compounds as peroxisome proliferator activator receptor (PPAR) agonists. PPAR alpha activators, pharmaceutical compositions containing such compounds and the use of such compounds to elevate certain plasma lipid levels, including high density lipoprotein-cholesterol and to lower certain other plasma lipid levels, such as LDL-cholesterol and triglycerides and accordingly to treat diseases which are exacerbated by low levels of HDL cholesterol and/or high levels of LDL-cholesterol and triglycerides, such as atherosclerosis and cardiovascular diseases, in mammals, including humans. The compounds are also useful for the treatment of negative energy balance (NEB) and associated diseases in ruminants.

  本发明涉及取代杂环芳基和苯基磺酰胺化合物，包含这些化合物的制药组合物和将这些化合物用作过氧化物酶增殖剂受体（PPAR）激动剂。PPARα激动剂，包含这些化合物的制药组合物，以及将这些化合物用于提高某些血浆脂质水平，包括高密度脂蛋白胆固醇和降低其他某些血浆脂质水平，如低密度脂蛋白胆固醇和甘油三酯，因此治疗由低高密度脂蛋白胆固醇水平和/或高低密度脂蛋白胆固醇和甘油三酯水平加重的疾病，例如动脉粥样硬化和心血管疾病，在哺乳动物中，包括人类。这些化合物还可用于治疗反能量平衡（NEB）和反刍动物相关疾病。
• Substituted Heteroaryl- and Phenylsulfamoyl Compounds
  申请人：Hamanaka S. Ernest

  公开号：US20060229363A1

  公开（公告）日：2006-10-12

  The present invention is directed at substituted heteroaryl and phenylsulfamoyl compounds, pharmaceutical compositions containing such compounds and the use of such compounds as peroxisome proliferator activator receptor (PPAR) agonists. PPAR alpha activators, pharmaceutical compositions containing such compounds and the use of such compounds to elevate certain plasma lipid levels, including high density lipoprotein-cholesterol and to lower certain other plasma lipid levels such as LDL-cholesterol and triglycerides and accordingly to treat diseases which are exacerbated by low levels of HDL cholesterol and/or high levels of LDL-cholesterol and triglycerides such as atherosclerosis and cardiovascular diseases, in mammals, including humans. The compounds are also useful for the treatment of negative energy balance (NEB) and associated diseases in ruminants.

  本发明涉及取代杂环芳基和苯基磺酰胺化合物、含有该类化合物的药物组合物及其作为过氧化物酶体增殖物激活受体（PPAR）激动剂的用途。该化合物可以作为PPARα激动剂，含有该类化合物的药物组合物可用于提高某些血浆脂质水平，包括高密度脂蛋白胆固醇，并降低其他某些血浆脂质水平，如低密度脂蛋白胆固醇和甘油三酯，从而治疗低高密度脂蛋白胆固醇水平和/或高低密度脂蛋白胆固醇和甘油三酯水平加剧的疾病，如动脉硬化和心血管疾病，在哺乳动物，包括人类中使用。该化合物还可用于治疗反能量平衡（NEB）和反刍动物相关疾病。
• 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。
• SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS
  申请人：HAMANAKA S. ERNEST

  公开号：US20080090829A1

  公开（公告）日：2008-04-17

  The present invention is directed at substituted heteroaryl- and phenylsulfamoyl compounds, pharmaceutical compositions containing such compounds and the use of such compounds as peroxisome proliferator activator receptor (PPAR) agonists. PPAR alpha activators, pharmaceutical compositions containing such compounds and the use of such compounds to elevate certain plasma lipid levels, including high density lipoprotein-cholesterol and to lower certain other plasma lipid levels, such as LDL-cholesterol and triglycerides and accordingly to treat diseases which are exacerbated by low levels of HDL cholesterol and/or high levels of LDL-cholesterol and triglycerides, such as atherosclerosis and cardiovascular diseases, in mammals, including humans. The compounds are also useful for the treatment of negative energy balance (NEB) and associated diseases in ruminants.

  本发明涉及取代杂环芳基和苯基磺酰胺化合物，含有这种化合物的药物组合物以及将这种化合物用作过氧化物酶体增殖物激活受体（PPAR）激动剂。PPARα激动剂，含有这种化合物的药物组合物以及使用这种化合物升高某些血浆脂质水平，包括高密度脂蛋白胆固醇并降低其他某些血浆脂质水平，如低密度脂蛋白胆固醇和甘油三酯，并因此治疗低密度脂蛋白胆固醇和/或高甘油三酯水平加重的疾病，如动脉粥样硬化和心血管疾病，在哺乳动物中，包括人类。这些化合物还可用于治疗反能量平衡（NEB）和反刍动物相关疾病。
• 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。