ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,2-dihydro-1,5-naphthyridine-3-carboxylate | 863434-36-0

• 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: ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,2-dihydro-1,5-naphthyridine-3-carboxylate
• 英文别名: ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-naphthyridine-3-carboxylate
• CAS: 863434-36-0
• 化学式: C₂₄H₂₄FN₃O₅
• 分子量: 453.47
• InChiKey: UKVPURUYTYPCKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,2-dihydro-1,5-naphthyridine-3-carboxylate 在 甲酸 、 甲胺 作用下， 以 乙腈 为溶剂， 生成 7-[(4-Fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,2-dihydro-1,5-naphthyridine-3-carboxamide
  参考文献：
  名称：

  HIV INTEGRASE INHIBITORS

  摘要：

  本发明具有作为HIV整合酶抑制剂的化合物，因此在抑制HIV复制、预防及/或治疗HIV感染以及治疗艾滋病及/或艾滋病相关综合症方面具有用途。

  公开号：

  US20150225399A1
• 作为产物：
  描述：

  ethyl 3-amino-5-[(4-fluorophenyl)methyl]-2-pyridinecarboxylate 在 三乙胺 、 O-(benzotriazol-1-yl)-N,N,N,N-tetramethyluroniumhexafluorophosphate 作用下， 以 乙醇 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,2-dihydro-1,5-naphthyridine-3-carboxylate
  参考文献：
  名称：

  Naphthyridinone (NTD) integrase inhibitors 4. Investigating N1 acetamide substituent effects with C3 amide groups

  摘要：

  A series of N1 acetamide substituted naphthyridinone HIV-1 integrase inhibitors have been explored to understand structure-activity relationships (SAR) with various C3 amide groups. Investigations were evaluated using integrase enzyme inhibition, antiviral activity and protein binding effects to optimize the sub-structures. Lipophilicity was also incorporated to understand ligand lipophilic efficiency as a function of the structural modifications. Three representative analogs were further examined in a peripheral blood mononuclear cell (PBMC) antiviral assay as well as in vitro and in vivo drug metabolism and pharmacokinetic studies. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.05.011

文献信息

• Hiv Integrase Inhibitors
  申请人：Johns Alvin Brian

  公开号：US20070124152A1

  公开（公告）日：2007-05-31

  The present invention features compounds that are HIV integrase inhibitors and therefore are useful in the inhibition of HIV replication, the prevention and/or treatment of infection by HIV, and in the treatment of AIDS and/or ARC.

  本发明涉及一种HIV整合酶抑制剂化合物，因此在抑制HIV复制，预防和/或治疗HIV感染以及治疗艾滋病和/或ARC方面具有用途。
• 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors
  申请人：Johns Brian Alvin

  公开号：US08691991B2

  公开（公告）日：2014-04-08

  The present invention features compounds that are HIV integrase inhibitors and therefore are useful in the inhibition of HIV replication, the prevention and/or treatment of infection by HIV, and in the treatment of AIDS and/or ARC.

  本发明涉及能够抑制HIV整合酶的化合物，因此可用于抑制HIV复制，预防和/或治疗HIV感染，以及治疗艾滋病和/或ARC。
• US20140256713A1
  申请人：——

  公开号：——

  公开（公告）日：——
• US8691991B2
  申请人：——

  公开号：US8691991B2

  公开（公告）日：2014-04-08
• [EN] HIV INTEGRASE INHIBITORS<br/>[FR] INHIBITEURS DE L'INTEGRASE DU VIH
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2005077050A2

  公开（公告）日：2005-08-25

  The present infention features compounds that are HIV integrase inhibitors and therefore are useful in the inhibition of HIV replication, the prevention and/or treatment of infection by HIV, and in the treatment of AIDS and/or ARC.