3-{2-[(7-{[(3,5-dichlorobenzyl)amino]carbonyl}-8-hydroxy-1,6-naphthyridin-5-yl)amino]ethyl}pyridine | 410543-99-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-{2-[(7-{[(3,5-dichlorobenzyl)amino]carbonyl}-8-hydroxy-1,6-naphthyridin-5-yl)amino]ethyl}pyridine
• 英文别名: N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-(2-pyridin-3-ylethylamino)-1,6-naphthyridine-7-carboxamide
• CAS: 410543-99-6
• 化学式: C₂₃H₁₉Cl₂N₅O₂
• 分子量: 468.342
• InChiKey: LHHWJJXQPGRTLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  100
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(7-{[(3,5-dichlorobenzyl)amino]carbonyl}-8-hydroxy-1,6-naphthyridin-5-yl)-1H-imidazo[4,5-b]pyridine 、 3-(7-{[(3,5-dichlorobenzyl)amino]carbonyl}-8-hydroxy-1,6-naphthyridin-5-yl)-3H-imidazo[4,5-b]pyridine 生成 3-{2-[(7-{[(3,5-dichlorobenzyl)amino]carbonyl}-8-hydroxy-1,6-naphthyridin-5-yl)amino]ethyl}pyridine
  参考文献：
  名称：

  Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors

  摘要：

  本发明涉及Aza-和多氮杂萘基羧酰胺衍生物，包括某些喹啉羧酰胺和萘啶羧酰胺衍生物。这些化合物是HIV整合酶的抑制剂和HIV复制的抑制剂，可用于预防或治疗HIV感染和治疗艾滋病，作为化合物或药学上可接受的盐，或作为制药组合物中的成分，可选与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。还描述了预防、治疗或延缓艾滋病发作的方法以及预防或治疗HIV感染的方法。

  公开号：

  US20030055071A1

文献信息

• AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS
  申请人：Merck & Co., Inc.

  公开号：EP1326865A2

  公开（公告）日：2003-07-16
• US6921759B2
  申请人：——

  公开号：US6921759B2

  公开（公告）日：2005-07-26
• [EN] AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS<br/>[FR] AZA- ET POLYAZA-NAPHTHALENYL CARBOXAMIDES UTILES COMME INHIBITEURS DE L'INTEGRASE DU VIH
  申请人：MERCK & CO INC

  公开号：WO2002030930A2

  公开（公告）日：2002-04-18

  Aza- and polyaza-naphthalenyl carboxamide derivatives including certain quinoline carboxamide and naphthyridine carboxamide derivatives are described. These compounds are inhibitors of HIV integrase and inhibitors of HIV replication, and are useful in the prevention or treatment of infection by HIV and the treatment of AIDS, as compounds or pharmaceutically acceptable salts, or 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 also described.
• [EN] AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS<br/>[FR] AZA-NAPHTALENYLE CARBOXAMIDES ET POLYAZA-NAPHTALENYLE CARBOXAMIDES UTILES EN TANT QU'INHIBITEURS DE L'INTEGRASE DU VIH
  申请人：MERCK & CO INC

  公开号：WO2002030931A2

  公开（公告）日：2002-04-18

  Aza- and polyaza-naphthalenyl carboxamide derivatives including certain quinoline carboxamide and naphthyridine carboxamide derivatives are described. These compounds are inhibitors of HIV integrase and inhibitors of HIV replication, and are useful in the prevention or treatment of infection by HIV and the treatment of AIDS, as compounds or pharmaceutically acceptable salts, or 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 also described.