2-(3-chloro-4-fluorobenzyl)-4-hydroxy-7,8,9,10-tetrahydropyrrolo[3,4-a]quinolizine-1,3,5(2H)-trione | 1310549-09-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹嗪类
• 英文名称: 2-(3-chloro-4-fluorobenzyl)-4-hydroxy-7,8,9,10-tetrahydropyrrolo[3,4-a]quinolizine-1,3,5(2H)-trione
• 英文别名: 2-[(3-Chloro-4-fluorophenyl)methyl]-4-hydroxy-7,8,9,10-tetrahydropyrrolo[3,4-a]quinolizine-1,3,5-trione
• CAS: 1310549-09-7
• 化学式: C₁₈H₁₄ClFN₂O₄
• 分子量: 376.772
• InChiKey: OEZAPPGGKZESBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  77.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氯-4-氟苄胺 在 三氟化硼乙醚 、 乙酸酐 、 对甲苯磺酸 作用下， 以 二氯甲烷 、 溶剂黄146 、 甲苯 为溶剂， 反应 1.0h， 生成 2-(3-chloro-4-fluorobenzyl)-4-hydroxy-7,8,9,10-tetrahydropyrrolo[3,4-a]quinolizine-1,3,5(2H)-trione
  参考文献：
  名称：

  Development of tricyclic hydroxy-1H-pyrrolopyridine-trione containing HIV-1 integrase inhibitors

  摘要：

  New tricyclic HIV-1 integrase (IN) inhibitors were prepared that combined structural features of bicyclic pyrimidinones with recently disclosed 4,5-dihydroxy-1H-isoindole-1,3(2H)-diones. This combination resulted in the introduction of a nitrogen into the aryl ring and the addition of a fused third ring to our previously described inhibitors. The resulting analogues showed low micromolar inhibitory potency in in vitro HIV-1 integrase assays, with good selectivity for strand transfer relative to 3'-processing. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.03.047

文献信息

• COMPOSITIONS AND METHODS FOR TREATING HERPES VIRUSES
  申请人：President and Fellows of Harvard College

  公开号：US20140243348A1

  公开（公告）日：2014-08-28

  Compositions and methods that are useful for the treatment of herpesvirus infection (including herpes simplex virii) are disclosed. Methods for identifying compounds useful for the treatment of herpesvirus infection are also disclosed.
• [EN] COMPOSITIONS AND METHODS FOR TREATING HERPES VIRUSES<br/>[FR] COMPOSITIONS ET MÉTHODES DE TRAITEMENT DES VIRUS DE L'HERPÈS
  申请人：HARVARD COLLEGE

  公开号：WO2013028297A1

  公开（公告）日：2013-02-28

  Compositions and methods that are useful for the treatment of herpesvirus infection (including herpes simplex virii) are disclosed. Methods for identifying compounds useful for the treatment of herpesvirus infection are also disclosed.
• Development of tricyclic hydroxy-1H-pyrrolopyridine-trione containing HIV-1 integrase inhibitors
  作者：Xue Zhi Zhao、Kasthuraiah Maddali、Mathieu Metifiot、Steven J. Smith、B. Christie Vu、Christophe Marchand、Stephen H. Hughes、Yves Pommier、Terrence R. Burke

  DOI：10.1016/j.bmcl.2011.03.047

  日期：2011.5

  New tricyclic HIV-1 integrase (IN) inhibitors were prepared that combined structural features of bicyclic pyrimidinones with recently disclosed 4,5-dihydroxy-1H-isoindole-1,3(2H)-diones. This combination resulted in the introduction of a nitrogen into the aryl ring and the addition of a fused third ring to our previously described inhibitors. The resulting analogues showed low micromolar inhibitory potency in in vitro HIV-1 integrase assays, with good selectivity for strand transfer relative to 3'-processing. Published by Elsevier Ltd.