N1-[7-[[(4-氟苄基)氨基]羰基]-8-羟基-1,6-萘啶-5-基]-N1,N2,N2-三甲基草酰胺 | 410545-90-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: N1-[7-[[(4-氟苄基)氨基]羰基]-8-羟基-1,6-萘啶-5-基]-N1,N2,N2-三甲基草酰胺
• 英文名称: 8-hydroxy-5-N-methyl-N'-(2-dimethylamino-1,2-diketo)ethylamino-1,6-naphthyridine-7-(4'-fluorobenzyl)-carboxamide
• 英文别名: Unii-O168onk0IG；N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N,N'-trimethyloxamide
• CAS: 410545-90-3
• 化学式: C₂₁H₂₀FN₅O₄
• 分子量: 425.419
• InChiKey: DKMXWAOCNKDQMT-UHFFFAOYSA-N

物化性质

• 密度：
  1.405

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  7-{[(4-Fluorobenzyl)amino]carbonyl}-5-[[methoxy(oxo)acetyl]-(methyl)amino]-1,6-naphthyridin-8-yl methyl oxalate 生成 N1-[7-[[(4-氟苄基)氨基]羰基]-8-羟基-1,6-萘啶-5-基]-N1,N2,N2-三甲基草酰胺
  参考文献：
  名称：

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

  摘要：

  本文介绍了包括某些喹啉羧酰胺和萘啶羧酰胺衍生物在内的Aza-和多氮杂萘基羧酰胺衍生物。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，或作为药物组分，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。还介绍了预防、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：

  US06921759B2

文献信息

• A series of 5-aminosubstituted 4-fluorobenzyl-8-hydroxy-[1,6]naphthyridine-7-carboxamide HIV-1 integrase inhibitors
  作者：James P. Guare、John S. Wai、Robert P. Gomez、Neville J. Anthony、Samson M. Jolly、Amanda R. Cortes、Joseph P. Vacca、Peter J. Felock、Kara A. Stillmock、William A. Schleif、Gregory Moyer、Lori J. Gabryelski、Lixia Jin、I-Wu Chen、Daria J. Hazuda、Steven D. Young

  DOI：10.1016/j.bmcl.2006.03.003

  日期：2006.6

  A series of 5-amino derivatives of 8-hydroxy[1,6]-naphthyridine-7-carboxamide exhibiting sub-micromolar potency against replication of HIV-1 in cell culture was identified. One of these analogs, compound 12, displayed excellent pharmacokinetic properties when dosed orally in rats and in monkeys. This compound was demonstrated to be efficacious against replication of simian-human immunodeficiency virus (SHIV) 89.6P in infected rhesus macaques. (c) 2006 Elsevier Ltd. All rights reserved.
• Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents
  申请人：Leh Herve

  公开号：US20080280849A1

  公开（公告）日：2008-11-13

  The invention relates to a combination comprising a quinoline compound or its sail, according to general formula (I) and at least one HIV infection therapeutic agent selected from the group consisting of entry inhibitors, reverse-transcriptase inhibitors, strand-transfer inhibitors, protease inhibitors, and maturation inhibitors. Said combination has therapeutic synergy in the treatment of an HIV infection compared with the quinoline compound, or HIV infection therapeutic agent alone.