[[10-[[2-(dimethylamino)-1,2-dioxoethyl]methylamino]-2-[[[(4-fluorophenyl)methyl]amino]carbonyl]-4,8,9,10-tetrahydro-3-hydroxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-7(6H)-yl]methyl]methyl-carbamic acid (3β)-cholest-5-en-3-yl ester | 1380664-73-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: [[10-[[2-(dimethylamino)-1,2-dioxoethyl]methylamino]-2-[[[(4-fluorophenyl)methyl]amino]carbonyl]-4,8,9,10-tetrahydro-3-hydroxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-7(6H)-yl]methyl]methyl-carbamic acid (3β)-cholest-5-en-3-yl ester
• 英文别名: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[[1-[[2-(dimethylamino)-2-oxoacetyl]-methylamino]-4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-9-yl]methyl]-N-methylcarbamate
• CAS: 1380664-73-2
• 化学式: C₅₄H₇₇FN₆O₇
• 分子量: 941.24
• InChiKey: FUWBSCSYYLXUFT-UCLPURMNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  68
• 可旋转键数：
  13
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  152
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• HIV Integrase Inhibitors
  申请人：Ueda Yasutsugu

  公开号：US20120309698A1

  公开（公告）日：2012-12-06

  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.

  本公开涉及公式I的新化合物及其盐，其抑制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。本发明还包括用于治疗HIV感染者的药物组合物和方法。
• US8835411B2
  申请人：——

  公开号：US8835411B2

  公开（公告）日：2014-09-16