4-(5-溴噻吩-2-基)苯甲酸 | 145208-54-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(5-溴噻吩-2-基)苯甲酸
• 英文名称: 4-(5-Bromo-2-thienyl)benzoic acid
• 英文别名: 4-(5-bromothiophen-2-yl)benzoic Acid
• CAS: 145208-54-4
• 化学式: C₁₁H₇BrO₂S
• 分子量: 283.145
• InChiKey: KZLZFZNQHIRXDH-UHFFFAOYSA-N

物化性质

• 沸点：
  399.9±32.0 °C(Predicted)
• 密度：
  1.637±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(5-溴噻吩-2-基)苯甲酸 在 吡啶 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 生成 4-(5-bromothiophen-2-yl)-N,N-dimethylbenzamide
  参考文献：
  名称：

  Diarylthiophenes as inhibitors of the pore-forming protein perforin

  摘要：

  Evolution from a furan-containing high-throughput screen (HTS) hit (1) resulted in isobenzofuran-1(3H)-one (2) as a potent inhibitor of the function of both isolated perforin protein and perforin delivered in situ by intact KHYG-1 NK cells. In the current study, structure-activity relationship (SAR) development towards a novel series of diarylthiophene analogues has continued through the use of substituted-benzene and -pyridyl moieties as bioisosteres for 2-thioxoimidazolidin-4-one (A) on a thiophene (B) -isobenzofuranone (C) scaffold. The resulting compounds were tested for their ability to inhibit perforin lytic activity in vitro. Carboxamide (23) shows a 4-fold increase over (2) in lytic activity against isolated perforin and provides good rationale for continued development within this class. (C) 2015 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY license.

  DOI：

  10.1016/j.bmcl.2015.12.003
• 作为产物：
  描述：

  4-(methoxycarbonyl)benzenediazonium tetrafluoroborate 在 potassium acetate 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 、 乙腈 为溶剂， 反应 12.0h， 生成 4-(5-溴噻吩-2-基)苯甲酸
  参考文献：
  名称：

  Axton, Christopher A.; Billingham, Michael E. J.; Bishop, Paul M., Journal of the Chemical Society. Perkin transactions I, 1992, # 17, p. 2203 - 2214

  摘要：

  DOI：

文献信息

• Glutamate aggrecanase inhibitors
  申请人：Sum Phaik-Eng

  公开号：US20070043066A1

  公开（公告）日：2007-02-22

  The present invention relates to modulators of metalloproteinase activity.

  本发明涉及金属蛋白酶活性调节剂。
• [EN] HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES<br/>[FR] AGENTS RÉCEPTEURS DE L'HISTAMINE H3, PRÉPARATION ET UTILISATIONS THÉRAPEUTIQUES
  申请人：LILLY CO ELI

  公开号：WO2006023462A1

  公开（公告）日：2006-03-02

  The present invention provides a novel compound of Formula (I) or a pharmaceutically acceptable salt thereof, having histamine-H3 receptor antagonist or inverse agonist activity, as well as methods for preparing such compounds. In another, embodiment, the invention discloses pharmaceutical compositions comprising compounds of Formula (I) as well as methods of using them to treat obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases.

  本发明提供了一种新的化合物式(I)或其药学上可接受的盐，具有组胺H3受体拮抗剂或反向激动剂活性，以及制备此类化合物的方法。在另一种实施方案中，本发明还公开了包括化合物式(I)的制药组合物，以及使用它们治疗肥胖症、认知缺陷、嗜睡症和其他组胺H3受体相关疾病的方法。
• [EN] COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS<br/>[FR] COMPOSÉS EN TANT QU'INHIBITEURS DE LA S-NITROSOGLUTATHION RÉDUCTASE
  申请人：N30 PHARMACEUTICALS LLC

  公开号：WO2012170371A1

  公开（公告）日：2012-12-13

  The present invention is directed to compounds useful as S-nitrosoglutathione reductase (GSNOR) inhibitors, pharmaceutical compositions comprising such compounds, and methods of making and using the same.

  本发明涉及用作S-亚硝基谷胱甘肽还原酶（GSNOR）抑制剂的化合物，包括该化合物的制药组合物以及使用该化合物的方法。
• HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES
  申请人：Finley Don Richard

  公开号：US20090048225A1

  公开（公告）日：2009-02-19

  The present invention provides a novel compound of Formula (I) or a pharmaceutically acceptable salt thereof, having histamine-H3 receptor antagonist or inverse agonist activity, as well as methods for preparing such compounds. In another, embodiment, the invention discloses pharmaceutical compositions comprising compounds of Formula (I) as well as methods of using them to treat obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases.

  本发明提供一种新型化合物(I)或其药学上可接受的盐，具有组胺H3受体拮抗剂或反向激动剂的活性，以及制备这种化合物的方法。在另一种实施方式中，本发明揭示了包含化合物(I)的药物组合物，以及使用它们治疗肥胖症、认知缺陷、嗜睡症和其他组胺H3受体相关疾病的方法。
• GLUTAMATE AGGRECANASE INHIBITORS
  申请人：Sum Phaik-Eng

  公开号：US20100010012A1

  公开（公告）日：2010-01-14

  The present invention relates to modulators of metalloproteinase activity.

  本发明涉及金属蛋白酶活性调节剂。