methyl 4-[(4-aminosulfonyl)phenyl]-5-(3,4-dichloro-phenyl)oxazole-2-butanoate | 185344-04-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 4-[(4-aminosulfonyl)phenyl]-5-(3,4-dichloro-phenyl)oxazole-2-butanoate
• 英文别名: Methyl 4-[5-(3,4-dichlorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]butanoate
• CAS: 185344-04-1
• 化学式: C₂₀H₁₈Cl₂N₂O₅S
• 分子量: 469.345
• InChiKey: GOMIIJAAYFBKEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  121
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  ammonium hydroxide 、 methyl [(4-phenyl)-5-(3,4-dichlorophenyl)oxazole]-2-butanoate 在 氯磺酸 作用下， 以 二氯甲烷 为溶剂， 以1.7 g (38%)的产率得到methyl 4-[(4-aminosulfonyl)phenyl]-5-(3,4-dichloro-phenyl)oxazole-2-butanoate
  参考文献：
  名称：

  Pyrazole substituted hydroxamic acid derivatives as cyclooxxgenase-2 and 5- lipoxygenase inhibitors

  摘要：

  这项发明属于抗炎药物领域，具体涉及用于治疗由环氧合酶-2或5-脂氧合酶介导的疾病的化合物、组合物和方法，如炎症。

  公开号：

  US20010056189A1

文献信息

• [EN] SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION<br/>[FR] OXAZOLES SUBSTITUES UTILISES DANS LE TRAITEMENT D'INFLAMMATIONS
  申请人：G.D. SEARLE & CO.

  公开号：WO1996036617A1

  公开（公告）日：1996-11-21

  (EN) A class of substituted oxazoles is described for use in treating inflammation and inflammation-related disorders. Compounds of particular interest are defined by formula (I), wherein R is selected from hydrido, halo, mercapto, hydroxyl, carboxyalkylthio, carboxyalkylthioalkyl, carboxyalkoxy, carboxyalkoxyalkyl, haloalkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, alkoxy, aryloxy, aralkoxy, alkylamino, aminocarbonyl, alkoxyalkyl, carboxy(haloalkyl), alkyl, hydroxyalkyl, haloalkyl, alkenyl, hydroxyalkenyl, alkynyl, hydroxyalkynyl, cycloalkyl, cycloalkylalkyl, aminoalkyl, hydroxyalkoxyalkyl, alkylcarbonyl, phosphonylalkyl, amino acid residue, heterocyclylalkyl, cyanoalkyl, alkoxycarbonyl, alkoxycarbonylalkyl, carboxy, carboxyalkyl, arylthioalkyl, aminocarbonylalkyl, alkylcarbonylaminoalkyl, alkoxycarbonylaminoalkyl, aralkoxycarbonylaminoalkyl, aryl, heteroaryl, aralkyl, aryloxyalkyl, aralkoxyalkyl, heteroaryloxyalkyl and heteroarylalkoxyalkyl; wherein R1 is selected from cycloalkyl, cycloalkenyl, aryl and heterocyclyl, wherein R1 is optionally substituted at a substitutable position by alkyl, alkylamino, alkoxy and halo; wherein R2 is selected from alkyl and amino; and wherein R3 is selected from hydrido and alkyl.(FR) L'invention se rapporte à une classe d'oxazoles substitués destinés à être utilisés dans le traitement d'inflammations ou de troubles liés à des inflammations. Des composés d'intérêt particulier sont définis par la formule (I) dans laquelle R est sélectionné parmi hydrido, halo, mercapto, hydroxyle, carboxyalkylthio, carboxyalkylthioalkyle, carboxyalcoxy, carboxyalcoxyalkyle, haloalcoxy, alkylthio, alkylsulfinyle, alkylsulfonyle, alcoxy, aryloxy, aralcoxy, alkylamino, aminocarbonyle, alcoxyalkyle, carboxy(haloalkyle), alkyle, hydroxyalkyle, haloalkyle, alcényle, hydroxyalcényle, alkynyle, hydroxyalkynyle, cycloalkyle, cycloalkylalkyle, aminoalkyle, hydroxyalcoxyalkyle, alkylcarbonyle, phosphonylalkyle, un résidu aminoacide, hétérocyclylalkyle, cyanoalkyle, alcoxycarbonyle, alcoxycarbonylalkyle, carboxy, carboxyalkyle, arylthioalkyle, aminocarbonylalkyle, alkylcarbonylaminoalkyle, alcoxycarbonylaminoalkyle, aralcoxycarbonylaminoalkyle, aryle, hétéroaryle, aralkyle, aryloxyalkyle, aralcoxyalkyle, hétéroaryloxyalkyle et hétéroarylalcoxyalkyle; où R1 est sélectionné parmi cycloalkyle, cycloalcényle, aryle et hétérocyclyle, R1 étant éventuellement substitué à une position substituable par alkyle, alkylamino, alcoxy et halo; où R2 est sélectionné parmi alkyle et amino; et où R3 est sélectionné parmi hydrido et alkyle.

  (中文) 描述了一类替代噁唑用于治疗炎症和与炎症相关的疾病。特别感兴趣的化合物由公式（I）定义，其中R从氢化物，卤素，巯基，羟基，羧基烷基硫，羧基烷基硫烷基，羧基烷氧基，羧基烷氧基烷基，卤代烷氧基，烷基硫，烷基亚磺酰基，烷氧基，芳氧基，芳基氧烷基，烷基氨基，氨基羰基，烷氧基烷基，羧基（卤代烷基），烷基，羟基烷基，卤代烷基，烯基，羟基烯基，炔基，羟基炔基，环烷基，环烷基烷基，氨基烷基，羟基烷氧基烷基，烷基羰基，磷酸酯基烷基，氨基酸残基，杂环烷基烷基，氰基烷基，烷氧羰基，烷氧羰基烷基，羧基，羧基烷基，芳基硫烷基，氨基羰基烷基，烷基羰基氨基烷基，烷氧羰基氨基烷基，芳基氧羰基氨基烷基，芳基，杂环芳基，芳基氧烷基，芳基氧烷基烷基，杂环芳基氧烷基和杂环芳基氧烷基烷基中选择; 其中R1从环烷基，环烯基，芳基和杂环烷基中选择，其中R1在可替换位置上可选地被烷基，烷基氨基，烷氧基和卤素取代; 其中R2从烷基和氨基中选择; 而R3从氢化物和烷基中选择。
• Thiophene substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors
  申请人：Pharmacia Corporation

  公开号：US20030176708A1

  公开（公告）日：2003-09-18

  This invention is in the field of antiinflammatory pharmaceutical agents and specifically relates to compounds, compositions and methods for treating disorders mediated by cyclooxygenase-2 or 5-lipoxygenase, such as inflammation.

  这项发明属于抗炎药物领域，具体涉及化合物、组合物和治疗通过环氧合酶-2或5-脂氧合酶介导的疾病的方法，如炎症。
• Heterocyclo substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors
  申请人：——

  公开号：US20020028945A1

  公开（公告）日：2002-03-07

  This invention is in the field of antiinflammatory pharmaceutical agents and specifically relates to compounds, compositions and methods for treating disorders mediated by cyclooxygenase-2 or 5-lipoxygenase, such as inflammation.

  这项发明属于抗炎药物领域，具体涉及化合物、组合物和治疗通过环氧化酶-2或5-脂氧合酶介导的疾病的方法，例如炎症。
• Pyrazole substituted hydroxamic acid derivatives as cyclooxygenase-2 and 5-lipoxygenase inhibitors
  申请人：Pharmacia Corporation

  公开号：US20040248943A9

  公开（公告）日：2004-12-09

  This invention is in the field of antiinflammatory pharmaceutical agents and specifically relates to compounds, compositions and methods for treating disorders mediated by cyclooxygenase-2 or 5-lipoxygenase, such as inflammation.

  这项发明属于抗炎药物领域，具体涉及化合物、组合物和治疗通过环氧化酶-2或5-脂氧合酶介导的疾病的方法，如炎症。
• SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION
  申请人：G.D. SEARLE & CO.

  公开号：EP0825989A1

  公开（公告）日：1998-03-04