N-benzyl 2-[(1-{2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-{[(1S,3R,4aS,9S,9aR,10aS)-9-methoxy-1-methyloctahydro-1H-pyrano[4',3':4,5][1,3]oxazolo[2,3-c][1,4]oxazin-3-yl]oxy}-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethoxy}cyclohexyl)oxy]acetamide | 1204819-71-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 蒽环类药物
• 英文名称: N-benzyl 2-[(1-{2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-{[(1S,3R,4aS,9S,9aR,10aS)-9-methoxy-1-methyloctahydro-1H-pyrano[4',3':4,5][1,3]oxazolo[2,3-c][1,4]oxazin-3-yl]oxy}-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethoxy}cyclohexyl)oxy]acetamide
• 英文别名: N-benzyl-2-[(1-{2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-{[(1S,3R,4aS,9S,9aR,10aS)-9-methoxy-1-methyloctahydro-1H-pyrano[4',3':4,5][1,3]oxazolo[2,3-c][1,4]oxazin-3-yl]oxy}-6,11-dioxo-1,2,3,4,6,1-hexahydrotetracen-2-yl]ethoxy}cyclohexyl)oxy]acetamide；N-benzyl-2-[1-[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethoxy]cyclohexyl]oxyacetamide
• CAS: 1204819-71-5
• 化学式: C₄₇H₅₄N₂O₁₅
• 分子量: 886.95
• InChiKey: INLWALILKAMTJW-CSXHVTIGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  64
• 可旋转键数：
  13
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  218
• 氢给体数：
  4
• 氢受体数：
  16

文献信息

• ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS
  申请人：Beria Italo

  公开号：US20100034837A1

  公开（公告）日：2010-02-11

  The present invention relates to conjugates of therapeutically useful anthracyclines with carriers such as polyclonal and monoclonal antibodies, proteins or peptides of natural or synthetic origin; methods for their preparation, pharmaceutical composition containing them and use thereof in treating certain mammalian tumors.

  本发明涉及治疗有用的蒽环类药物与载体（如多克隆和单克隆抗体、天然或合成来源的蛋白质或肽）的结合物，其制备方法，含有它们的药物组合物以及在治疗某些哺乳动物肿瘤中的应用。
• ANTHRACYCLINE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS
  申请人：Genentech, Inc.

  公开号：EP2303332B1

  公开（公告）日：2014-12-31
• US8389697B2
  申请人：——

  公开号：US8389697B2

  公开（公告）日：2013-03-05
• US8900589B2
  申请人：——

  公开号：US8900589B2

  公开（公告）日：2014-12-02
• US9695240B2
  申请人：——

  公开号：US9695240B2

  公开（公告）日：2017-07-04