3-(4-methylthiophenyl)-4-(4-methoxyphenyl)thiophene | 157671-94-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(4-methylthiophenyl)-4-(4-methoxyphenyl)thiophene
• 英文别名: 3-(4-Methoxyphenyl)-4-(4-methylsulfanylphenyl)thiophene
• CAS: 157671-94-8
• 化学式: C₁₈H₁₆OS₂
• 分子量: 312.456
• InChiKey: CMJFSPVPABWJJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  62.8
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• 3,4-diaryl thiophenes and analogs thereof having use as anti-inflammatory agents
  申请人：G.D. Searle & Co.

  公开号：US20030013744A1

  公开（公告）日：2003-01-16

  A class of 3,4-diaryl substituted thiophene, furan and pyrrole derivatives and analogs thereof, pharmaceutical compositions containing them and methods of using them to treat inflammation and inflammation-related disorders. Compounds of particular interest are defined by Formula I: 1 wherein Y is selected from O, S and NR 1 ; wherein R 1 is selected from hydrido and lower alkyl; wherein X is one or two substituent selected from hydrido, halo, lower alkoxycarbonyl and carboxyl; wherein R 2 and R 3 are independently aryl or heteroaryl; and wherein R 2 and R 3 are optionally substituted at a substitutable position with one or more radicals selected from sulfamyl, alkylsulfonyl, halo, lower alkoxy and lower alkyl; or a pharmaceutically-acceptable salt thereof.

  一类3,4-二芳基取代的噻吩、呋喃和吡咯衍生物及其类似物，包括含有它们的制药组合物和使用它们治疗炎症和炎症相关疾病的方法。特别感兴趣的化合物由公式I定义：其中Y选择自O、S和NR1；其中R1选择自氢和较低的烷基；其中X是一个或两个取代基，选择自氢、卤素、较低的烷氧羰基和羧基；其中R2和R3分别为芳基或杂芳基；其中R2和R3在可取代位置上可以选择一个或多个基团进行取代，选择自磺酰胺基、烷基磺酰基、卤素、较低的烷氧基和较低的烷基；或其药学上可接受的盐。
• 3,4-Diaryl Thiophenes and analogs thereof having use as antiflammatory agents
  申请人：——

  公开号：US20020058691A1

  公开（公告）日：2002-05-16

  A class of 3,4-diaryl substituted thiophene, furan and pyrrole derivatives and analogs thereof, pharmaceutical compositions containing them and methods of using them to treat inflammation and inflammation-related disorders. Compounds of particular interest are defined by Formula I: 1 wherein Y is selected from O, S and NR 1 ; wherein R 1 is selected from hydrido and lower alkyl; wherein X is one or two substicuent selected from hydrido, halo, lower alkoxycarbonyl and carboxyl; wherein R 2 and R 3 are independently aryl or heteroaryl; and wherein R 2 and R 3 are optionally substituted at a substitutable position with one or more radicals selected from sulfamyl, alkylsulfonyl, halo, lower alkoxy and lower alkyl; or a pharmaceutically-acceptable salt thereof.

  一类3,4-二芳基取代噻吩、呋喃和吡咯衍生物及其类似物，含有它们的制药组合物以及使用它们治疗炎症和炎症相关疾病的方法。特别感兴趣的化合物由式I:1定义：其中Y选自O、S和NR1；其中R1选自氢和较低的烷基；其中X是一个或两个取代基，选自氢、卤素、较低的烷氧羰基和羧基；其中R2和R3独立地是芳基或杂环芳基；其中R2和R3在可取代位置上可以选择性地用一个或多个基团取代，所述基团选自磺酰胺基、烷基磺酰基、卤素、较低的烷氧基和较低的烷基；或其药学上可接受的盐。
• 3,4-diaryl thiophenes and analogs thereof having use as antiinflammatory agents
  申请人：G.D. Searle & Co.

  公开号：US20030153602A1

  公开（公告）日：2003-08-14

  A class of 3,4-diaryl substituted thiophene, furan and pyrrole derivatives and analogs thereof, pharmaceutical compositions containing them and methods of using them to treat inflammation and inflammation-related disorders. Compounds of particular interest are defined by Formula I: 1 wherein Y is selected from O, S and NR 1 ; wherein R 1 is selected from hydrido and lower alkyl; wherein X is one or two substituent selected from hydrido, halo, lower alkoxycarbonyl and carboxyl; wherein R 2 and R 3 are independently aryl or heteroaryl; and wherein R 2 and R 3 are optionally substituted at a substitutable position with one or more radicals selected from sulfamyl, alkylsulfonyl, halo, lower alkoxy and lower alkyl; or a pharmaceutically-acceptable salt thereof.

  一类3,4-二芳基取代的噻吩、呋喃和吡咯衍生物及其类似物，包含它们的制药组合物以及使用它们治疗炎症和炎症相关疾病的方法。特别感兴趣的化合物由式I定义：其中Y从O、S和NR1中选择；其中R1选择自氢和较低烷基；其中X是一个或两个取代基，从氢、卤素、较低烷氧基和羧基中选择；其中R2和R3分别为芳基或杂环芳基；其中R2和R3在可取代位置上可选择一个或多个基团进行取代，所述基团从磺酰胺基、烷基磺酰基、卤素、较低烷氧基和较低烷基中选择；或其药学上可接受的盐。
• [EN] NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS<br/>[FR] NOUVEAUX THIOPHENES 3,4-DIARYLE ET LEURS ANALOGUES UTILISES COMME AGENTS ANTI-INFLAMMATOIRES
  申请人：G.D. SEARLE & CO.

  公开号：WO1994015932A1

  公开（公告）日：1994-07-21

  (EN) A class of 3,4-diaryl substitued thiophene, furan and pyrrole derivatives and analogs thereof, pharmaceutical compositions containing them and methods of using them to treat inflammation and inflammation-related disorders. Compounds of particular interest are defined by formula (I), wherein Y is selected from O, S and NR1; wherein R1 is selected from hydrido and lower alkyl; wherein X is one or two substituent selected from hydrido, halo, lower alkoxycarbonyl and carboxyl; wherein R2 and R3 are independently aryl or heteroaryl; and wherein R2 and R3 are optionally substituted at a substitutable position with one or more radicals selected from sulfamyl, alkylsulfonyl, halo, lower alkoxy and lower alkyl; or a pharmaceutically-acceptable salt thereof.(FR) L'invention se rapporte à une classe de thiophènes à substitution 3,4-diaryle, à des dérivés de de furane et pyrrole et leurs analogues, aux compositions pharmaceutiques les contenant et à leurs procédés d'utilisation permettant de traiter les maladies inflammatoires et maladies relatives aux inflammations. Des composés d'un intérêt particulier sont définis par la formule (I), dans laquelle Y est sélectionné parmi O, S et NR1; R1 est sélectionné parmi hybrido et alkyle inférieur; X représente un ou deux substituants sélectionnés parmi hybrido, halo, alcoxycarbonyle inférieur et carboxyle; R2 et R3 représentent indépendamment aryle ou hétéroaryle; et R2 et R3 sont éventuellement substitués au niveau d'une position substituable par un ou plusieurs radicaux sélectionnés parmi sulfamyle, alkylsulfonyle, halo, alcoxy inférieur et alkyle inférieur; ou un sel pharmaceutiquement accpetable de ceux-ci.

  本发明涉及含取代基3-4-二甲基 thiophene、四氢呋喃和吡咯及其衍生物、药用 compositions 或为此类化合物的衍生物以及用于治疗炎症及相关炎症病症的方法。特别感兴趣的是由公式(I)定义的化合物。在公式(I)中，Y选自O、S和NR1；R1选自hydrido和低级烷基；X为一个或两个选自hydrido、halo、低级alkoxycarbonyl和carboxyl的替换基团；R2和R3各自为独立的aryl或heteroaryl；或催化反应中起作用的R2和R3可能存在被被取代的可能性，其中被取代的位置可以被一个或更多选自sulfamyl、alkylsulfonyl、halo、低级alkoxy和低级烷基的根基取代或药用可接受的盐。
• NOVEL 3,4-DIARYL THIOPHENES AND ANALOGS THEREOF HAVING USE AS ANTIINFLAMMATORY AGENTS
  申请人：G.D. SEARLE & CO.

  公开号：EP0679157A1

  公开（公告）日：1995-11-02