2-(3,4-difluorobenzyl)-8-hydroxy-5,5,6-trimethyl-2,3,4,4a,5,6-hexahydro-2,6-naphthyridine-1,7-dione | 865088-28-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(3,4-difluorobenzyl)-8-hydroxy-5,5,6-trimethyl-2,3,4,4a,5,6-hexahydro-2,6-naphthyridine-1,7-dione
• 英文别名: 2-[(3,4-difluorophenyl)methyl]-8-hydroxy-5,5,6-trimethyl-4,4a-dihydro-3H-2,6-naphthyridine-1,7-dione
• CAS: 865088-28-4
• 化学式: C₁₈H₂₀F₂N₂O₃
• 分子量: 350.365
• InChiKey: YHXMDCPEOWBMAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  60.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Hiv Integrase Inhibitors
  申请人：Morrissette Matthew M.

  公开号：US20080139579A1

  公开（公告）日：2008-06-12

  Compounds of Formula I are inhibitors of HIV integrase and inhibitors of HIV replication: (I) wherein Z, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 and R 9 are defined herein. The compounds are useful in the prevention and treatment of infection by HIV and in the prevention, delay in the onset, and treatment of AIDS. The compounds are employed against HIV infection and AIDS as compounds per se or in the form of pharmaceutically acceptable salts. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  化合物I的结构是HIV整合酶的抑制剂和HIV复制的抑制剂：（I）其中Z，R1，R2，R3，R4，R5，R6，R7，R8和R9在此处定义。这些化合物对预防和治疗HIV感染以及预防、延迟AIDS的发作和治疗非常有用。这些化合物可作为化合物本身或作为药学上可接受的盐的形式用于对抗HIV感染和AIDS。这些化合物及其盐可作为药物组合物的成分使用，可选择性地与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。
• HIV INTEGRASE INHIBITORS
  申请人：Merck & Co., Inc.

  公开号：EP1725535A2

  公开（公告）日：2006-11-29
• US7619086B2
  申请人：——

  公开号：US7619086B2

  公开（公告）日：2009-11-17
• [EN] HIV INTEGRASE INHIBITORS<br/>[FR] INHIBITEURS DE L'INTEGRASE DU VIH
  申请人：MERCK & CO INC

  公开号：WO2005086700A2

  公开（公告）日：2005-09-22

  Compounds of Formula I are inhibitors of HIV integrase and inhibitors of HIV replication: (I) wherein Z, R1, R2, R3, R4, R5, R6, R7, R8 and R9 are defined herein. The compounds are useful in the prevention and treatment of infection by HIV and in the prevention, delay in the onset, and treatment of AIDS. The compounds are employed against HIV infection and AIDS as compounds per se or in the form of pharmaceutically acceptable salts. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.