[2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 4-(1-nitrooxyethoxycarbonyloxymethyl)benzoate | 1345092-15-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: [2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 4-(1-nitrooxyethoxycarbonyloxymethyl)benzoate
• CAS: 1345092-15-0
• 化学式: C₃₆H₄₃NO₁₃
• 分子量: 697.736
• InChiKey: QMHABRZZLXJSMA-ILQZQPCRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  50
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  190
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  在 silver nitrate 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以88%的产率得到[2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-9,13-dimethyl-16-oxo-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 4-(1-nitrooxyethoxycarbonyloxymethyl)benzoate
  参考文献：
  名称：

  Nitric Oxide Releasing Prodrugs of Therapeutic Agents

  摘要：

  本发明涉及已知药物或治疗剂的一氧化氮释放前药，其在此处表示为式(I)的化合物，其中药物或治疗剂包含一个或多个功能基团，独立地选自羧酸、氨基、羟基和巯基。该发明还涉及制备一氧化氮释放前药（式(I)的化合物）的方法，含有它们的药物组合物以及使用这些前药的方法。

  公开号：

  US20110263526A1

文献信息

• [EN] NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS<br/>[FR] PROMÉDICAMENTS D'AGENTS THÉRAPEUTIQUES LIBÉRANT DE L'OXYDE NITRIQUE
  申请人：PIRAMAL LIFE SCIENCES LTD

  公开号：WO2011132171A1

  公开（公告）日：2011-10-27

  The present invention relates to nitric oxide releasing prodrugs of known drugs or therapeutic agents which are represented herein as compounds of formula (I) wherein the drugs or therapeutic agents contain one or more functional groups independently selected from a carboxylic acid, an amino, a hydroxyl and a sulfhydryl group. The invention also relates to processes for the preparation of the nitric oxide releasing prodrugs (the compounds of formula (I)), to pharmaceutical compositions containing them. The present invention also relates to use of the compounds of formula (I) for the treatment of diseases or disorders for which the known drugs or therapeutic agents are used. The present invention also relates to method of treatment of diseases or disorders in humans or mammals by administering therapeutically effective amount of the compounds of formula (I) to said humans or mammals.