3-(4-ethoxy-phenoxy)-6-methanesulfonyl-benzo[b]thiophene-2-carbonitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(4-ethoxy-phenoxy)-6-methanesulfonyl-benzo[b]thiophene-2-carbonitrile
• 英文别名: 3-(4-Ethoxyphenoxy)-6-methylsulfonyl-1-benzothiophene-2-carbonitrile
• 化学式: C₁₈H₁₅NO₄S₂
• 分子量: 373.453
• InChiKey: VCXFSUIHWSMGJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• NEW BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS
  申请人：——

  公开号：US20020107280A1

  公开（公告）日：2002-08-08

  This invention relates to compounds, which are generally anti-inflammatory and analgesic compounds, and which are represented by Formula I: 1 wherein A is a —CH 2 —, —C(O)—, —O—, —S—, —S(O)—, or —S(0) 2 — and the other substituents are as defined in the specification; or prodrugs, individual isomers, mixtures of isomers, and pharmaceutically acceptable salts thereof. The invention further relates to pharmaceutical compositions containing such compounds and methods for their use as therapeutic agents.

  这项发明涉及一类化合物，通常是抗炎和镇痛化合物，其表示为式I：其中A是—CH2—、—C(O)—、—O—、—S—、—S(O)—或—S(0)2—，其他取代基如规范中所定义；或其前药、各个异构体、异构体混合物和其药用可接受的盐。该发明还涉及含有这种化合物的药物组合物以及它们作为治疗剂的使用方法。
• BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1347963A2

  公开（公告）日：2003-10-01
• US6433005B1
  申请人：——

  公开号：US6433005B1

  公开（公告）日：2002-08-13
• [EN] BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES<br/>[FR] DERIVES DE BENZOFURANE ET DE BENZOTHIOPHENE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2002046178A2

  公开（公告）日：2002-06-13

  This invention relates to new benzofuran and benzothiophene derivatives, their process of preparation and their use as anti-inflammatory agents.