(N-{3-[3-(piperidylmethyl)phenoxy]propyl}carbamoyl)methyl 2-[2-(nitrosothio)adamantan-2-yl]acetate | 270248-12-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (N-{3-[3-(piperidylmethyl)phenoxy]propyl}carbamoyl)methyl 2-[2-(nitrosothio)adamantan-2-yl]acetate
• 英文别名: [2-Oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] 2-(2-nitrososulfanyl-2-adamantyl)acetate
• CAS: 270248-12-9
• 化学式: C₂₉H₄₁N₃O₅S
• 分子量: 543.728
• InChiKey: XLHFKLKGMHIEMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  123
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• H2 RECEPTOR ANTAGONIST COMPOUNDS IN COMBINATION WITH NITRIC OXIDE DONORS, COMPOSTIONS AND METHODS OF USE
  申请人：——

  公开号：US20020077343A1

  公开（公告）日：2002-06-20

  The present invention describes novel nitrosated and/or nitrosylated H 2 receptor antagonist compounds, and novel compositions comprising at least one H 2 receptor antagonist compound that is optionally substituted with at least one NO and/or NO 2 group, 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. The present invention also describes methods for treating and/or preventing gastrointestinal disorders; improving gastroprotective properties of H 2 receptor antagonists; decreasing the recurrence of ulcers; facilitating ulcer healing; preventing and/or treating inflammations and microbial infections, ophthalmic diseases and disorders, multiple sclerosis, and viral infections; and decreasing or reducing the gastrointestinal toxicity associated with the use of nonsteroidal antiinflammatory compounds.

  本发明描述了新型的硝化和/或亚硝化H2受体拮抗剂化合物，以及包含至少一种H2受体拮抗剂化合物的新型组合物，该化合物可以选择性地取代至少一个NO和/或NO2基团，并且可以选择性地包含至少一种捐赠、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的底物。本发明还描述了治疗和/或预防胃肠道疾病的方法；改善H2受体拮抗剂的胃保护性能；减少溃疡的复发；促进溃疡愈合；预防和/或治疗炎症和微生物感染、眼科疾病和障碍、多发性硬化症和病毒感染；减少或降低非甾体抗炎化合物使用所带来的胃肠道毒性。
• Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use
  申请人：Garvey S. David

  公开号：US20050250758A1

  公开（公告）日：2005-11-10

  The invention describes novel nitrosated and/or nitrosylated H 2 receptor antagonist compounds, and novel compositions comprising at least one H 2 receptor antagonist compound that is optionally substituted with at least one NO and/or NO 2 group, 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 at least one nonsteroidal antiinflammatory drug, antacid, bismuth-containing reagent or anti-viral agent. The invention also describes methods for treating and/or preventing gastrointestinal disorders; improving gastroprotective properties of H 2 receptor antagonists; decreasing the recurrence of ulcers; facilitating ulcer healing; preventing and/or treating inflammations and microbial infections, ophthalmic diseases and disorders, multiple sclerosis, and viral infections; and decreasing or reducing the gastrointestinal toxicity associated with the use of nonsteroidal antiinflammatory compounds.

  本发明描述了新型的硝酸化和/或亚硝酸化H2受体拮抗剂化合物，以及至少包含一种H2受体拮抗剂化合物的新型组合物，该化合物可选择性地取代至少一个NO和/或NO2基团，并且可选择地包含至少一种捐赠、转移或释放一氧化氮、刺激内源性一氧化氮合成、提高内源性内皮源性舒张因子水平或是一氧化氮合酶底物和/或至少一种非甾体抗炎药、抗酸剂、含铋试剂或抗病毒药物。本发明还描述了治疗和/或预防胃肠道疾病的方法；改善H2受体拮抗剂的胃保护性能；减少溃疡复发；促进溃疡愈合；预防和/或治疗炎症和微生物感染、眼科疾病和疾病、多发性硬化症和病毒感染；并减少或降低与非甾体抗炎化合物使用相关的胃肠道毒性。
• NITROSATED AND NITROSYLATED H2 RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：Nitromed, Inc.

  公开号：EP1140066A1

  公开（公告）日：2001-10-10
• EP1140066A4
  申请人：——

  公开号：EP1140066A4

  公开（公告）日：2005-11-09
• US6552047B2
  申请人：——

  公开号：US6552047B2

  公开（公告）日：2003-04-22