(E-)3-(4-Methylsulfonyl)phenyl-2-phenylbut-2-enoic acid | 194736-65-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (E-)3-(4-Methylsulfonyl)phenyl-2-phenylbut-2-enoic acid
• 英文别名: (E)-3-(4-methylsulfonylphenyl)-2-phenylbut-2-enoic acid
• CAS: 194736-65-7
• 化学式: C₁₇H₁₆O₄S
• 分子量: 316.378
• InChiKey: OJQRXIFAKNEELT-FOWTUZBSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  79.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  LiOH·H2O 、 (E)-3-(4-Methylsulfonyl)phenyl-2-phenylbut-2-enoic acid methyl ester 生成 (E-)3-(4-Methylsulfonyl)phenyl-2-phenylbut-2-enoic acid
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• [EN] NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS<br/>[FR] PROMEDICAMENTS DE DIARYL-2-(5H)-FURANONES EN TANT QU'INHIBITEURS DE LA CYCLO-OXYGENASE-2 LIBERANT DE L'OXYDE NITRIQUE
  申请人：MERCK FROSST CANADA INC

  公开号：WO2004011421A1

  公开（公告）日：2004-02-05

  The invention encompasses novel compounds of Formula I, which are nitric oxide-releasing prodrugs of diaryl-2-(5H) furanones useful in the treatment of cyclooxygenase-2 mediated diseases. The invention also encompasses certain pharmaceutical compositions and methods for treatment of cyclooxygenase-2 mediated diseases comprising the use of compounds of Formula I. The above compounds may be used as a combination therapy with low-dose aspirin to treat chronic cyclooxygenase-2 mediated diseases or conditions while simultaneously reducing the risk of thrombotic cardiovascular events.

  该发明涵盖了一种新颖的Formula I化合物，这些化合物是一种二苯基-2-(5H)呋喃酮的一氧化氮释放前药，用于治疗环氧合酶-2介导的疾病。该发明还涵盖了某些用于治疗环氧合酶-2介导疾病的药物组合和方法，包括使用Formula I化合物。上述化合物可作为低剂量阿司匹林的联合治疗，用于治疗慢性环氧合酶-2介导的疾病或症状，同时减少血栓性心血管事件的风险。
• Nitric oxide releasing prodrugs of diaryl-2-(5h)-furanones as cyclooxygenase-2 inhibitors
  申请人：Berthelette Carl

  公开号：US20050261245A1

  公开（公告）日：2005-11-24

  The invention encompasses novel compounds of Formula I, which are nitric oxide-releasing prodrugs of diaryl-2-(5H) furanones useful in the treatment of cyclooxygenase-2 mediated diseases. The invention also encompasses certain pharmaceutical compositions and methods for treatment of cyclooxygenase-2 mediated diseases comprising the use of compounds of Formula I. The above compounds may be used as a combination therapy with low-dose aspirin to treat chronic cyclooxygenase-2 mediated diseases or conditions while simultaneously reducing the risk of thrombotic cardiovascular events.

  本发明涵盖了化合物I的新型化合物，其为二芳基-2-(5H)呋喃酮的一氧化氮释放前药，可用于治疗环氧合酶-2介导的疾病。本发明还涵盖了某些药物组合和方法，用于治疗环氧合酶-2介导的疾病，包括使用化合物I。上述化合物可与低剂量阿司匹林组合治疗慢性环氧合酶-2介导的疾病或病症，同时降低血栓性心血管事件的风险。
• DIPHENYL STILBENES AS PRODRUGS TO COX-2 INHIBITORS
  申请人：Merck Frosst Canada & Co.

  公开号：EP0882015B1

  公开（公告）日：2000-12-27
• NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS
  申请人：MERCK FROSST CANADA & CO.

  公开号：EP1527045A1

  公开（公告）日：2005-05-04
• US5733909A
  申请人：——

  公开号：US5733909A

  公开（公告）日：1998-03-31