3-(benzyloxy)-N-{4-fluoro-2-[(methylamino)carbonyl]benzyl}-5-methyl-4-oxo-7-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide | 871937-30-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(benzyloxy)-N-{4-fluoro-2-[(methylamino)carbonyl]benzyl}-5-methyl-4-oxo-7-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
• 英文别名: N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-5-methyl-4-oxo-3-phenylmethoxy-7-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
• CAS: 871937-30-3
• 化学式: C₂₉H₂₇FN₆O₄
• 分子量: 542.57
• InChiKey: XXCARCSEYNQDSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  Methyl 4-(benzyloxy)-5-{[(2-hydroxy-2-pyridin-2-ylethyl)(methyl)amino]carbonyl}-1H-pyrazole-3-carboxylate 、 2-(aminomethyl)-5-fluoro-N-methylbenzamide hydrochloride 在 水 、 乙腈 作用下， 生成 3-(benzyloxy)-N-{4-fluoro-2-[(methylamino)carbonyl]benzyl}-5-methyl-4-oxo-7-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
  参考文献：
  名称：

  HIV integrase inhibitors

  摘要：

  化合物I式的双环吡唑是HIV整合酶的抑制剂和HIV复制的抑制剂：其中Z为O或N（R8）; n是等于零或1的整数; R1，R2，R3，R4，R5，R6，R7和R8在此定义。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抗击HIV感染和艾滋病。这些化合物及其盐可作为制药组合物中的成分，可与其他抗病毒药物，免疫调节剂，抗生素或疫苗组合使用。

  公开号：

  US07476666B2

文献信息

• Hiv Integrase Inhibitors
  申请人：Wai S. John

  公开号：US20080015187A1

  公开（公告）日：2008-01-17

  Bicyclic pyrazoles of Formula I are inhibitors of HIV integrase and inhibitors of HIV replication: wherein Z is O or N(R 8 ); n is an integer equal to zero or 1; and R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 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.

  式I中的双环吡唑是HIV整合酶的抑制剂和HIV复制的抑制剂：其中Z是O或N（R8）; n是等于零或1的整数; R1、R2、R3、R4、R5、R6、R7和R8在此定义。这些化合物对预防和治疗HIV感染以及预防、延迟发病和治疗艾滋病非常有用。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成部分，可与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。
• EP1758585A4
  申请人：——

  公开号：EP1758585A4

  公开（公告）日：2009-07-22
• HIV INTEGRASE INHIBITORS
  申请人：Merck & Co., Inc.

  公开号：EP1758585A2

  公开（公告）日：2007-03-07
• US7476666B2
  申请人：——

  公开号：US7476666B2

  公开（公告）日：2009-01-13
• [EN] HIV INTEGRASE INHIBITORS<br/>[FR] INHIBITEURS INTÉGRASE VIH
  申请人：MERCK & CO INC

  公开号：WO2005120516A2

  公开（公告）日：2005-12-22

  Bicyclic pyrazoles of Formula I are inhibitors of HIV integrase and inhibitors of HIV replication: (I), wherein Z is O or N(R8); n is an integer equal to zero or 1; and R1, R2, R3, R4, R5, R6, R7 and R8 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.