4-(4-((Fluoromethyl)sulfonyl)phenyl)-3-phenyl-5-hydrofuran-2-one | 477572-21-7

• 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: 4-(4-((Fluoromethyl)sulfonyl)phenyl)-3-phenyl-5-hydrofuran-2-one
• 英文别名: 3-[4-(fluoromethylsulfonyl)phenyl]-4-phenyl-2H-furan-5-one
• CAS: 477572-21-7
• 化学式: C₁₇H₁₃FO₄S
• 分子量: 332.352
• InChiKey: BLOMLAFWTLWFLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Cyclooxygenase-2 inhibitors, compositions and methods of use
  申请人：——

  公开号：US20020183366A1

  公开（公告）日：2002-12-05

  This invention describes novel compounds that are cyclooxygenase 2 (COX-2) selective inhibitors and novel compositions comprising at least one cyclooxygenase 2 (COX-2) selective inhibitor, and, optionally, at least one compound that donates, transfers or releases nitric oxide, stimulates endogenous synthesis of nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor or is a substrate for nitric oxide synthase, and/or, optionally, at least one therapeutic agent. The invention also provides novel kits comprising at least one COX-2 selective inhibitor, and, optionally, at least one nitric oxide donor, and/or, optionally, at least one therapeutic agent. The novel cyclooxygenase 2 selective inhibitors of the invention can be optionally nitrosated and/or nitrosylated. The invention also provides methods for treating inflammation, pain and fever; for treating and/or improving the gastrointestinal properties of COX-2 selective inhibitors; for facilitating wound healing; for treating and/or preventing renal toxicity or other toxicities; for treating and/or preventing other disorders resulting from elevated levels of cyclooxygenase-2; and for improving the cardiovascular profile of COX-2 selective inhibitors.

  本发明描述了新型化合物，它们是环氧合酶2（COX-2）选择性抑制剂，以及包括至少一种COX-2选择性抑制剂的新型组合物，以及可选地，至少一种捐赠、转移或释放一氧化氮的化合物，刺激内源性一氧化氮合成，提高内源性内皮源性松弛因子水平或是一氧化氮合酶底物，和/或，可选地，至少一种治疗剂。本发明还提供了包括至少一种COX-2选择性抑制剂的新型试剂盒，以及可选地，至少一种一氧化氮供体，和/或，可选地，至少一种治疗剂。本发明的新型环氧合酶2选择性抑制剂可以选择性地硝化和/或亚硝化。本发明还提供了治疗炎症、疼痛和发热的方法；治疗和/或改善COX-2选择性抑制剂的胃肠道特性；促进伤口愈合；治疗和/或预防肾毒性或其他毒性；治疗和/或预防由于升高的COX-2水平引起的其他疾病；和改善COX-2选择性抑制剂的心血管特性。