N-[2-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]ethyl]-1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 吐根碱生物碱
• 英文名称: N-[2-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]ethyl]-1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
• 化学式: C₄₀H₅₇N₅O₇
• 分子量: 719.9
• InChiKey: ITOLQIFLJXLKOX-KCAPAQDSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  52
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same
  申请人：Bakare Oladapo

  公开号：US20140148377A1

  公开（公告）日：2014-05-29

  Compounds are provided herein which are emetine derivatives that can be used as prodrugs which selectively undergo activation to release emetine in specific cellular conditions. In one aspect, a blocking group is incorporated onto the emetine molecule by the derivization of the N2′-position with moieties that can be selectively removed by hydrolysis in the cancer/tumor microenvironment. Such compounds are less cytotoxic than emetine and are substantially inactive in non-cancerous cells. In one aspect, the compounds described herein can be used for the treatment of metastatic and non-metastatic cancers, including, for example, breast cancer, prostate cancer, lung cancer, and leukemia.
• US9492560B2
  申请人：——

  公开号：US9492560B2

  公开（公告）日：2016-11-15