tert-butyl (3S,4aS,8aS)-2-[(2R,3R)-3-[[3-[2-[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxycarbonyloxy]ethyldisulfanyl]ethoxycarbonyloxy]-2-methylbenzoyl]amino]-2-hydroxy-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylate

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: tert-butyl (3S,4aS,8aS)-2-[(2R,3R)-3-[[3-[2-[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxycarbonyloxy]ethyldisulfanyl]ethoxycarbonyloxy]-2-methylbenzoyl]amino]-2-hydroxy-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylate
• 化学式: C48H63N7O13S3
• 分子量: 1042.3
• InChiKey: PJSRVXNIDNMPIV-WKTSRZRNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  71
• 可旋转键数：
  27
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  299
• 氢给体数：
  3
• 氢受体数：
  19

文献信息

• PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS
  申请人：Satyam Apparao

  公开号：US20110269709A1

  公开（公告）日：2011-11-03

  The invention provides the compounds of formula (I) or pharmaceutically acceptable salts thereof. The invention also provides pharmaceutical compositions comprising one or more compounds of formula I or intermediates thereof and one more of pharmaceutically acceptable carriers, vehicles or diluents. The invention further provides methods of preparation and methods of use of prodrugs including NO-releasing prodrugs, double prodrugs and mutual prodrugs comprising the compounds of formula I.

  该发明提供式（I）的化合物或其药学上可接受的盐。该发明还提供包含一个或多个式I化合物或其中间体以及一个或多个药学上可接受的载体、车载物或稀释剂的制药组合物。该发明还提供制备方法和使用方法，其中包括释放NO的前药、双前药和相互前药的前药，其中包括式I的化合物。
• Prodrugs Containing Bio-Cleavable Linkers
  申请人：Piramal Life Sciences Limited

  公开号：EP2075011A2

  公开（公告）日：2009-07-01

  The invention provides the compounds of formula (I) or pharmaceutically acceptable salts thereof. The invention also provides pharmaceutical compositions comprising one or more compounds of formula I or intermediates thereof and one more of pharmaceutically acceptable carriers, vehicles or diluents. The invention further provides methods of preparation and methods of use of prodrugs including NO-releasing prodrugs, double prodrugs and mutual prodrugs comprising the compounds of formula I.

  本发明提供了式 (I) 化合物或其药学上可接受的盐。本发明还提供了包含一种或多种式 I 化合物或其中间体以及一种或多种药学上可接受的载体、载体或稀释剂的药物组合物。本发明进一步提供了包括NO释放原药、双原药和包含式I化合物的互作原药在内的原药的制备方法和使用方法。
• Prodrugs containing novel bio-cleavable linkers
  申请人：Piramal Life Sciences Limited

  公开号：EP2266622A2

  公开（公告）日：2010-12-29

  The invention provides the compounds of formula (I) or pharmaceutically acceptable salts thereof. The invention also provides pharmaceutical compositions comprising one or more compounds of formula I or intermediates thereof and one more of pharmaceutically acceptable carriers, vehicles or diluents. The invention further provides methods of preparation and methods of use of prodrugs including NO-releasing prodrugs, double prodrugs and mutual prodrugs comprising the compounds of formula 1.

  本发明提供了式 (I) 化合物或其药学上可接受的盐。本发明还提供了包含一种或多种式 I 化合物或其中间体以及一种或多种药学上可接受的载体、载体或稀释剂的药物组合物。本发明进一步提供了包括NO释放原药、双原药和包含式1化合物的互作原药在内的原药的制备方法和使用方法。
• Prodrugs Containing Novel Bio-Cleavable Linkers
  申请人：Piramal Life Sciences Limited

  公开号：EP2266625A2

  公开（公告）日：2010-12-29

  The invention provides the compounds of formula (I) or pharmaceutically acceptable salts thereof. The invention also provides pharmaceutical compositions comprising one or more compounds of formula I or intermediates thereof and one more of pharmaceutically acceptable carriers, vehicles or diluents. The invention further provides methods of preparation and methods of use of prodrugs including NO-releasing prodrugs, double prodrugs and mutual prodrugs comprising the compounds of formula 1.

  本发明提供了式 (I) 化合物或其药学上可接受的盐。本发明还提供了包含一种或多种式 I 化合物或其中间体以及一种或多种药学上可接受的载体、载体或稀释剂的药物组合物。本发明进一步提供了包括NO释放原药、双原药和包含式1化合物的互作原药在内的原药的制备方法和使用方法。
• US7932294B2
  申请人：——

  公开号：US7932294B2

  公开（公告）日：2011-04-26