methyl 3-((4-(((2-((4-fluorobenzyl)carbamoyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)amino)-(oxo)acetyl)-1-piperazinyl)sulfonyl)-2-thiophenecarboxylate | 1188425-84-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 3-((4-(((2-((4-fluorobenzyl)carbamoyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)amino)-(oxo)acetyl)-1-piperazinyl)sulfonyl)-2-thiophenecarboxylate
• 英文别名: Methyl 3-((4-(((2-((4-fluorobenzyl)carbamoyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)amino)(oxo)acetyl)-1-piperazinyl)sulfonyl)-2-thiophenecarboxylate；methyl 3-[4-[2-[[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-1-yl]amino]-2-oxoacetyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate
• CAS: 1188425-84-4
• 化学式: C₃₁H₃₃FN₆O₉S₂
• 分子量: 716.768
• InChiKey: SQROVUQMSAWDLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  49
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  232
• 氢给体数：
  3
• 氢受体数：
  13

文献信息

• HIV Integrase Inhibitors
  申请人：Beaulieu Francis

  公开号：US20090253677A1

  公开（公告）日：2009-10-08

  The disclosure generally relates to the novel compounds of formula I, including their salts, which inhibit HIV integrase and prevent viral integration into human DNA. This action makes the compounds useful for treating HIV infection and AIDS. The invention also encompasses pharmaceutical compositions and methods for treating those infected with HIV.

  该披露通常涉及到公式I的新化合物，包括它们的盐，这些化合物抑制HIV整合酶并防止病毒整合到人类DNA中。这种作用使得这些化合物对治疗HIV感染和艾滋病有用。该发明还涵盖了用于治疗HIV感染者的药物组合物和方法。
• BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP2280981B1

  公开（公告）日：2014-04-23
• US8129398B2
  申请人：——

  公开号：US8129398B2

  公开（公告）日：2012-03-06
• [EN] BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS<br/>[FR] UTILISATION D'HÉRÉROCYCLES PONTÉS COMME INHIBITEURS DE L'INTÉGRASE DU VIH
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2009117540A1

  公开（公告）日：2009-09-24

  The disclosure generally relates to the novel compounds of formula I, including their salts, which inhibit HIV integrase and prevent viral integration into human DNA. This action makes the compounds useful for treating HIV infection and AIDS. The invention also encompasses pharmaceutical compositions and methods for treating those infected with HIV. Formule (I).