1-{7-[5-(4-fluorobenzyl)-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl}tetrahydropyrimidine-2(1H)-one | 797787-49-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 1-{7-[5-(4-fluorobenzyl)-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl}tetrahydropyrimidine-2(1H)-one
• 英文别名: 1-{7-[5-(4-fluorobenzyl)-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl}tetrahydropyrimidin-2(1H)-one；1-[7-[5-[(4-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]hexahydropyrimidin-2-one；1-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-diazinan-2-one
• CAS: 797787-49-6
• 化学式: C₂₁H₁₇FN₆O₃
• 分子量: 420.403
• InChiKey: NQWXLEOIWKLFOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 三甲基氯硅烷 、 sodium iodide 作用下， 以 乙腈 为溶剂， 生成 1-{7-[5-(4-fluorobenzyl)-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl}tetrahydropyrimidine-2(1H)-one
  参考文献：
  名称：

  1,3,4-Oxadiazole substituted naphthyridines as HIV-1 integrase inhibitors. Part 2: SAR of the C5 position

  摘要：

  The use of a 1,3,4-oxadiazole in combination with an 8-hydroxy-1,6-naphthyridine ring system has been shown to deliver potent enzyme and antiviral activity through inhibition of viral DNA integration. This report presents a detailed structure-activity investigation of the C5 position resulting in low nM potency for several analogs with an excellent therapeutic index. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.089

文献信息

• Naphthyridine integrase inhibitors
  申请人：Johns A. Brian

  公开号：US20070142365A1

  公开（公告）日：2007-06-21

  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.

  本发明的特点是化合物是HIV整合酶抑制剂，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。
• Naphthyridine Integrase Inhibitors
  申请人：Johns Brian A

  公开号：US20110003794A1

  公开（公告）日：2011-01-06

  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.

  本发明涉及一种具有HIV整合酶抑制剂特性的化合物，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。
• US7812016B2
  申请人：——

  公开号：US7812016B2

  公开（公告）日：2010-10-12