2-(2-Nitrooxyethylsulfanyl)ethyl 2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2-Nitrooxyethylsulfanyl)ethyl 2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetate
• 化学式: C19H20ClFN2O5S
• 分子量: 442.9
• InChiKey: VBLUYUXXDQJFDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  119
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Nitrosated and/or nitrosylated cyclooxygenase-2 selective inhibitors, compositions and methods of use
  申请人：——

  公开号：US20040072899A1

  公开（公告）日：2004-04-15

  The invention describes novel nitrosated and/or nitrosylated cyclooxygenase 2 (COX-2) selective inhibitors and novel compositions comprising at least one nitrosated and/or nitrosylated 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 compositions comprising at least one COX-2 selective inhibitor, that is optionally sitrosated and/or nitrosylated, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent 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 and/or respiratory toxicity; 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. The invention also provides novel kits comprising at least one COX-2 selective inhibitor optionally nitrosated and/or nitrosylated, 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 are preferably 2(2-((2-chloro-6-fluorophenyl)amino)5-methylphenyl)acetic acid and nitrosated derivatives thereof.

  本发明描述了新型亚硝酸盐化和/或亚硝酸盐化的环氧化酶 2 (COX-2) 选择性抑制剂和新型组合物，该组合物包含至少一种亚硝酸盐化和/或亚硝酸盐化的环氧化酶 2 (COX-2) 选择性抑制剂，以及至少一种可捐赠、转移或释放一氧化氮、刺激一氧化氮的内源性合成、提高内皮源性松弛因子的内源性水平或作为一氧化氮合酶底物的化合物和/或至少一种治疗剂。本发明还提供了新型组合物，该组合物包含至少一种 COX-2 选择性抑制剂，该抑制剂可选为亚硝基化和/或亚硝基化，以及可选的至少一种一氧化氮供体和/或至少一种治疗剂；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/或预防肾脏和/或呼吸道毒性；治疗和/或预防环氧化酶-2 水平升高引起的其他疾病；以及改善 COX-2 选择性抑制剂的心血管特性。本发明还提供了新型试剂盒，其中包含至少一种可选亚硝基化和/或亚硝基化的 COX-2 选择性抑制剂，以及可选的至少一种一氧化氮供体和/或可选的至少一种治疗剂。本发明的新型环氧化酶 2 选择性抑制剂优选 2(2-((2-氯-6-氟苯基)氨基)5-甲基苯基)乙酸及其亚硝基化衍生物。
• NITROSATED AND/OR NITROSYLATED CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE
  申请人：Nitromed, Inc.

  公开号：EP1539134A2

  公开（公告）日：2005-06-15
• EP1539134A4
  申请人：——

  公开号：EP1539134A4

  公开（公告）日：2007-04-11
• US7220749B2
  申请人：——

  公开号：US7220749B2

  公开（公告）日：2007-05-22
• US7589124B2
  申请人：——

  公开号：US7589124B2

  公开（公告）日：2009-09-15