N',8-dihydroxy-[1,6]naphthyridine-7-carboximidamide | 797788-26-2

• 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: N',8-dihydroxy-[1,6]naphthyridine-7-carboximidamide
• 英文别名: N',8-dihydroxy-1,6-naphthyridine-7-carboximidamide
• CAS: 797788-26-2
• 化学式: C₉H₈N₄O₂
• 分子量: 204.188
• InChiKey: XXTSJZRNPMHAEE-UHFFFAOYSA-N

物化性质

• 沸点：
  550.5±60.0 °C(Predicted)
• 密度：
  1.62±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N',8-dihydroxy-[1,6]naphthyridine-7-carboximidamide 、 苯甲酰氯 在 吡啶 、 甲醇 、 potassium carbonate 作用下， 以37%的产率得到7-(5-Phenyl-1,2,4-oxadiazol-3-yl)-1,6-naphthyridin-8-ol
  参考文献：
  名称：

  The use of oxadiazole and triazole substituted naphthyridines as HIV-1 integrase inhibitors. Part 1: Establishing the pharmacophore

  摘要：

  A series of HIV-1 integrase inhibitors containing a novel metal binding motif consisting of the 8-hydroxy1,6-naphthyridine core and either an oxadiazole or triazole has been identified. The design of the key structural components was based on a two-metal coordination pharmacophore. This report presents initial structure-activity data that shows the new chelation architecture delivers potent inhibition in both enzymatic and antiviral assays. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.090
• 作为产物：
  描述：

  7-cyano-8-hydroxy-1,6-naphthyridine 在 盐酸羟胺 、 potassium carbonate 作用下， 以 乙醇 为溶剂， 以82%的产率得到N',8-dihydroxy-[1,6]naphthyridine-7-carboximidamide
  参考文献：
  名称：

  The use of oxadiazole and triazole substituted naphthyridines as HIV-1 integrase inhibitors. Part 1: Establishing the pharmacophore

  摘要：

  A series of HIV-1 integrase inhibitors containing a novel metal binding motif consisting of the 8-hydroxy1,6-naphthyridine core and either an oxadiazole or triazole has been identified. The design of the key structural components was based on a two-metal coordination pharmacophore. This report presents initial structure-activity data that shows the new chelation architecture delivers potent inhibition in both enzymatic and antiviral assays. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.090

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。
• [EN] NAPHTHYRIDINE INTEGRASE INHIBITORS<br/>[FR] INIHBITEURS DE L'INTEGRASE DE LA NAPHTYRIDINE
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2004101512A3

  公开（公告）日：2005-01-27
• EP1622615A4
  申请人：——

  公开号：EP1622615A4

  公开（公告）日：2009-02-18
• NAPHTHYRIDINE INTEGRASE INHIBITORS
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1622615A2

  公开（公告）日：2006-02-08