5-bromo-3-(4-fluorophenyl)-2-(4-methylthiophenyl)thiophene | 88149-88-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-bromo-3-(4-fluorophenyl)-2-(4-methylthiophenyl)thiophene
• 英文别名: 5-bromo-2-(4-methylthiophenyl)-3-(4-fluorophenyl)thiophene；5-Bromo-3-(4-fluorophenyl)-2-[4-(methylsulfanyl)phenyl]thiophene；5-bromo-3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)thiophene
• CAS: 88149-88-6
• 化学式: C₁₇H₁₂BrFS₂
• 分子量: 379.317
• InChiKey: JCAIQOLCAZBSBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  53.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(4-fluorophenyl)-2-(4-methylthiophenyl)thiophene 在 溴 作用下， 以 二氯甲烷 、 溶剂黄146 、 乙酸乙酯 为溶剂， 生成 5-bromo-3-(4-fluorophenyl)-2-(4-methylthiophenyl)thiophene
  参考文献：
  名称：

  2,3-diaryl-5-bromothiophene compounds of use for the treatment of

  摘要：

  一些2,3-二芳基-5-溴噻吩化合物，例如5-溴-2-(4-甲基噻吩基)-3-(4-氟苯基)噻吩，已被发现具有显著且意外的抗炎活性，并且抑制前列腺素合成酶，对治疗关节炎和痛经有用。

  公开号：

  US04820827A1

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。
• Antiinflammatory and/or analgesic 2,3-Diaryl-5-halo thiophenes
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0087629A2

  公开（公告）日：1983-09-07

  Certain 2,3-diaryl-5-halo thiophenes are useful in the treatment of inflammation and/or pain.

  某些 2,3-二芳基-5-卤噻吩可用于治疗炎症和/或疼痛。
• Use of medicaments containing 3,4-diaryl furans and analogs thereof for treating a skin-related condition
  申请人：G.D. SEARLE & CO.

  公开号：EP0759432A1

  公开（公告）日：1997-02-26

  A class of 3,4-diaryl substituted furan derivatives and analogs thereof, and pharmaceutical compositions containing them to treat skin-related disorders. Compounds of particular interest are defined by a formula selected from wherein X is hydrogen or hydroxy; wherein R2 is aryl optionally substituted with a radical selected from halo, lower alkoxy, lower alkylthio, lower alkylsulfinyl, lower alkylsulfonyl, nitro, amino, sulfamyl and lower alkylsulfonylamino; and wherein R3 is aryl optionally substituted with a radical selected from halo, lower alkoxy, lower alkylthio, lower alkylsulfinyl, lower alkylsulfonyl, nitro, amino, lower alkylamino, lower alkylsulfonylamino and sulfamyl; provided that at least one of R2 and R3 is substituted with methylsulfonyl or sulfamyl; or a pharmaceutically-acceptable salt thereof.

  一类 3,4-二基取代的呋喃衍生物及其类似物，以及含有它们的药物组合物，用于治疗皮肤相关疾病。特别感兴趣的化合物的定义式选自 其中 X 是氢或羟基；其中 R2 是芳基，可任选被选自卤代、低级烷氧基、低级烷硫基、低级烷基亚磺酰基、低级烷基磺酰基、硝基、氨基、磺酰基和低级烷基磺酰基氨基的基取代；其中 R3 是芳基，可任选被选自卤代、低级烷氧基、低级烷硫基、低级烷基亚磺酰基、低级烷基磺酰基、硝基、氨基、低级烷基氨基、低级烷基磺氨基和氨基磺酰基的基取代；条件是 R2 和 R3 中至少有一个被甲磺酰基或氨基磺酰基取代；或其药学上可接受的盐。