8-bromo-5-oxo-2,3,4,5-tetrahydrobenzo[b]oxepin-4-yl 1-((tert-butoxycarbonyl)amino)cyclobutanecarboxylate | 1426331-53-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噁庚英
• 英文名称: 8-bromo-5-oxo-2,3,4,5-tetrahydrobenzo[b]oxepin-4-yl 1-((tert-butoxycarbonyl)amino)cyclobutanecarboxylate
• 英文别名: (8-bromo-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl) 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
• CAS: 1426331-53-4
• 化学式: C₂₀H₂₄BrNO₆
• 分子量: 454.318
• InChiKey: TXKXJFUVHWHXFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  90.9
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX
  申请人：LUPIN LTD

  公开号：WO2013030750A1

  公开（公告）日：2013-03-07

  Compounds of the general formula (I), their tautomeric forms, their stereoisomers, their analogs, their prodrugs, their isotopes, their N-oxides, their metabolites, their pharmaceutically acceptable salts, polymorphs, solvates, optical isomers, clathrates, co-crystals, combinations with suitable medicament, pharmaceutical compositions containing them, methods of making of the above compounds, and their use as antiviral candidate, more specifically as anti-HCV are disclosed.

  本发明公开了一般式（I）的化合物，它们的互变异构体，立体异构体，类似物，前药，同位素，N-氧化物，代谢物，药学上可接受的盐，多晶体，溶剂合物，光学异构体，笼合物，与适当药物的组合，含有它们的制药组合物，上述化合物的制备方法，以及它们作为抗病毒候选物，更具体地作为抗HCV的用途。