2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide

• 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: 2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
• 化学式: C₁₆H₁₅F₂N₃O₃
• 分子量: 335.3
• InChiKey: YMLZIQMBYBGKBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ethyl 2-(4-fluorobenzyl)-8-hydroxy-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]-pyrazine-7-carboxylate 、 Ethyl 2-[(3,4-difluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate 生成 2-[(3,4-difluorophenyl)methyl]-8-hydroxy-N-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxamide
  参考文献：
  名称：

  8-hydroxy-1-oxo-tetrahydropyrrolopyrazine compounds useful as hiv integrase inhibitors

  摘要：

  8-羟基-1-氧代-四氢吡咯吡嗪化合物是HIV整合酶的抑制剂和HIV复制的抑制剂。特别地，该化合物的公式为（1）：其中R1、R2、R3、R4、R5和R6在此定义。该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具有用途。该化合物可作为药物本身或作为药学上可接受的盐形式用于对抗HIV感染和艾滋病。该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。还描述了预防、治疗或延迟艾滋病发病的方法以及预防或治疗HIV感染的方法。

  公开号：

  US20050288293A1

文献信息

• 8-hydroxy-1-oxo-tetrahydropyrrolopyrazine compounds useful as HIV integrase inhibitors
  申请人：Merck & Co., Inc.

  公开号：US07399763B2

  公开（公告）日：2008-07-15

  8-Hydroxy-1-oxo-tetrahydropyrrolopyrazine compounds are inhibitors of HIV integrase and inhibitors of HIV replication. More particularly, the compounds are of Formula (I): wherein R1, R2, R3, R4, R5 and R6 are defined herein. The compounds are useful in the prevention and treatment of infection by ITV 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. Methods of preventing, treating or delaying the onset of AIDS and methods of preventing or treating infection by HIV are described.

  8-羟基-1-氧代-四氢吡咯吡嗪化合物是HIV整合酶抑制剂和HIV复制抑制剂。特别地，该化合物为式（I）中定义的R1、R2、R3、R4、R5和R6的化合物。该化合物对预防和治疗ITV感染以及预防、延迟发病和治疗艾滋病具有用处。该化合物可作为化合物本身或药学上可接受的盐的形式用于抗击HIV感染和艾滋病。该化合物及其盐可作为药物组合中的成分，可选择与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。还描述了预防、治疗或延迟发病艾滋病的方法以及预防或治疗HIV感染的方法。
• 8-HYDROXY-1-OXO-TETRAHYDROPYRROLOPYRAZINE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS
  申请人：Merck & Co., Inc.

  公开号：EP1539714B1

  公开（公告）日：2008-08-13
• US7399763B2
  申请人：——

  公开号：US7399763B2

  公开（公告）日：2008-07-15
• 8-hydroxy-1-oxo-tetrahydropyrrolopyrazine compounds useful as hiv integrase inhibitors
  申请人：Wai S. John

  公开号：US20050288293A1

  公开（公告）日：2005-12-29

  8-Hydroxy-1-oxo-tetrahydropyrrolopyrazine compounds are inhibitors of HIV integrase and inhibitors of HIV replication. More particularly, the compounds are of Formula (1): wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 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. Methods of preventing, treating or delaying the onset of AIDS and methods of preventing or treating infection by HIV are described.

  8-羟基-1-氧代-四氢吡咯吡嗪化合物是HIV整合酶的抑制剂和HIV复制的抑制剂。特别地，该化合物的公式为（1）：其中R1、R2、R3、R4、R5和R6在此定义。该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具有用途。该化合物可作为药物本身或作为药学上可接受的盐形式用于对抗HIV感染和艾滋病。该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。还描述了预防、治疗或延迟艾滋病发病的方法以及预防或治疗HIV感染的方法。