[(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-2-methylpiperidine-1-carboxylate

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 吗啡烷
• 英文名称: [(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-2-methylpiperidine-1-carboxylate
• 化学式: C₂₅H₃₂N₂O₅
• 分子量: 440.5
• InChiKey: ZOSJBJMRMJHBMJ-XRBVNLGISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  71.5
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Active Agent Prodrugs with Heterocyclic Linkers
  申请人：Jenkins Thomas E.

  公开号：US20140121152A1

  公开（公告）日：2014-05-01

  The embodiments provide prodrug compounds of Formulae I-XVII. The present disclosure also provides compositions, and their methods of use, where the compositions comprise a prodrug compound of Formulae I-XVII that provides controlled release of an active agent. Such compositions can optionally provide a trypsin inhibitor that interacts with the enzyme that mediates the controlled release of an active agent from the prodrug so as to attenuate enzymatic cleavage of the prodrug.

  本实施例提供了式I-XVII的前药化合物。本公开还提供了组合物及其使用方法，其中所述组合物包括式I-XVII的前药化合物，该前药化合物提供活性剂的控制释放。此类组合物可以选择性地提供胰蛋白酶抑制剂，该抑制剂与介导前药中活性剂控制释放的酶相互作用，以减弱前药的酶解。