3-(4-(methylsulfonyl)phenyl)-2-phenylbenzo[b]thiophene | 178614-24-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 3-(4-(methylsulfonyl)phenyl)-2-phenylbenzo[b]thiophene
• 英文别名: 3-(4-(Methanesulfonyl)phenyl)-2-phenylbenzo[b]thiophene；3-(4-methylsulfonylphenyl)-2-phenyl-1-benzothiophene
• CAS: 178614-24-9
• 化学式: C₂₁H₁₆O₂S₂
• 分子量: 364.489
• InChiKey: QOGACGBWUJYJEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  70.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-bromo-2-phenylbenzo[b]thiophene 、 4-（甲磺酰基）苯硼酸 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以59%的产率得到3-(4-(methylsulfonyl)phenyl)-2-phenylbenzo[b]thiophene
  参考文献：
  名称：

  Directed metalation and regioselective functionalization of 3-bromofuran and related heterocycles with NaHMDS

  摘要：

  A mild and regioselective functionalization protocol for 3-bromofuran and analogs has been developed. Selective metalation and functionalization of C2 can be achieved as a result of the directing effect of the adjacent electron-withdrawing bromo group. In addition, the C5 position can also be selectively functionalized by blocking the C2 position via silylation or by simply controlling the reaction temperature. These functionalized compounds bearing a C3 bromo substituent may be further elaborated by utilizing a Suzuki-Miyaura cross-coupling procedure. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.10.158

文献信息

• Diaryl bicyclic heterocycles as inhibitors of cyclooxygenase-2
  申请人：Merck Frosst Canada, Inc.

  公开号：US05521213A1

  公开（公告）日：1996-05-28

  The invention encompasses the novel compound of Formula I as well as a method of treating cyclooxygenase-2 mediated diseases comprising administration to a patient in need of such treatment of a non-toxic therapeutically effective amount of a compound of Formula I. ##STR1## The invention also encompasses certain pharmaceutical compositions for treatment of cyclooxygenase-2 mediated diseases comprising compounds of Formula I.

  本发明涵盖了I式新化合物，以及治疗环氧合酶-2介导的疾病的方法，包括向需要此类治疗的患者施用I式化合物的非毒性治疗有效量。 ## STR1 ## 本发明还涵盖了治疗环氧合酶-2介导的疾病的某些药物组合物，包括I式化合物。
• PHARMACEUTICAL COMPOSITIONS CONTAINING A COX-II INHIBITOR AND A MUSCLE RELAXANT
  申请人：Osmotica Corp.

  公开号：EP1362585A2

  公开（公告）日：2003-11-19

  The present invention provides a pharmaceutical composition and dosage form containing in combination a COX-II inhibitor and a muscle relaxant. The pharmaceutical composition is useful for the treatment of pain and pain related disorders and symptoms. The combination provides an improved therapeutic response as compared to either drug alone. The pharmaceutical composition can be included in any dosage form.

  本发明提供了一种药物组合物和剂型，其中含有一种 COX-II 抑制剂和一种肌肉松弛剂。该药物组合物可用于治疗疼痛及疼痛相关疾病和症状。与单独使用其中一种药物相比，该组合物可提供更好的治疗反应。该药物组合物可以包含在任何剂型中。
• Pharmaceutical formulation containing muscle relaxant and COX-II inhibitor
  申请人：Sen Nilendu

  公开号：US20050100594A1

  公开（公告）日：2005-05-12

  Disclosed is an extended release pharmaceutical formulation comprising a muscle relaxant drug, such as tizanidine, in combination with a cyclooxygenase-2 inhibitor, such as valdecoxib. The formulations are useful in the treatment and management of painful inflammatory conditions associated with, for example, skeletal muscle spasms.

  本发明公开了一种缓释药物制剂，该制剂由肌肉松弛剂药物（如替扎尼丁）与环氧化酶-2 抑制剂（如伐地昔布）组合而成。该制剂可用于治疗和控制与骨骼肌痉挛等相关的疼痛性炎症。
• Topical pharmaceutical compositions
  申请人：Krishnan Anandi

  公开号：US20050096371A1

  公开（公告）日：2005-05-05

  A hydroalcoholic topical pharmaceutical composition is provided comprising a therapeutically effective amount of a therapeutic agent comprising one or more selective cyclooxygenase-2 (COX-2) inhibitors or pharmaceutically acceptable salts or esters thereof solubilized in a solubilizing amount of a penetration vehicle system comprising a skin penetration enhancing effective amount of at least one monohydric alcohol and at least two non-volatile organic compounds selected from the group consisting of pyrrolidones, polyol ethers, polyols and mixtures thereof. Also provided is a process for its preparation.

  本发明提供了一种水醇局部药物组合物，该组合物包含治疗有效量的治疗剂，该治疗剂包含一种或多种选择性环氧化酶-2 (COX-2) 抑制剂或其药学上可接受的盐或酯，该治疗剂溶解在渗透载体系统的溶解量中，该渗透载体系统包含皮肤渗透增强有效量的至少一种一元醇和至少两种非挥发性有机化合物，这些非挥发性有机化合物选自由吡咯烷酮、多元醇醚、多元醇及其混合物组成的组。此外，还提供了一种制备方法。
• DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2
  申请人：MERCK FROSST CANADA INC.

  公开号：EP0778834A1

  公开（公告）日：1997-06-18