4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(4-fluorobenzyl)-9-hydroxy-7-isopropyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,6,8(7H)-trione | 866335-18-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(4-fluorobenzyl)-9-hydroxy-7-isopropyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,6,8(7H)-trione
• 英文别名: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[(4-fluorophenyl)methyl]-9-hydroxy-7-isopropyl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione；4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[(4-fluorophenyl)methyl]-9-hydroxy-7-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
• CAS: 866335-18-4
• 化学式: C₂₈H₃₁FN₄O₄
• 分子量: 506.577
• InChiKey: GWXUVJQXXGVPIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  84.4
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Hiv Integrase Inhibitors
  申请人：Williams D. Peter

  公开号：US20080009490A1

  公开（公告）日：2008-01-10

  Bicyclic uracils and related compounds are inhibitors of HIV integrase and inhibitors of HIV replication. In one embodiment, the compounds are of Formula I: wherein a, b, Y, R 1 , R 2 , R 3 and R 4 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.

  双环尿嘧啶及相关化合物是HIV整合酶抑制剂和HIV复制抑制剂。在一种实施例中，这些化合物为I式：其中a、b、Y、R1、R2、R3和R4的定义如本文所述。这些化合物在预防和治疗HIV感染以及预防、延迟发病和治疗艾滋病方面非常有用。这些化合物可作为化合物本身或以药学上可接受的盐的形式用于对抗HIV感染和艾滋病。这些化合物及其盐可作为药物组合物的成分，可选地与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。
• US7820680B2
  申请人：——

  公开号：US7820680B2

  公开（公告）日：2010-10-26