2-[1,3-dihydro-6,7-dihydroxy-3-oxo-2H-isoindol-2-yl]-1H-3,4-dihydroxyisoindole-1,3(2H)-dione | 1003850-40-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-[1,3-dihydro-6,7-dihydroxy-3-oxo-2H-isoindol-2-yl]-1H-3,4-dihydroxyisoindole-1,3(2H)-dione
• 英文别名: 2-(6,7-Dihydroxy-1-oxo-isoindolin-2-yl)-4,5-dihydroxy-isoindoline-1,3-dione；2-(4,5-dihydroxy-3-oxo-1H-isoindol-2-yl)-4,5-dihydroxyisoindole-1,3-dione
• CAS: 1003850-40-5
• 化学式: C₁₆H₁₀N₂O₇
• 分子量: 342.265
• InChiKey: CDLUVWVJRIVOIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  139
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-[1,3-dihydro-6,7-dimethoxy-1-oxo-2H-isoindol-2-yl]-1H-3,4-dimethoxyisoindole-1,3(2H)-dione 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 2-[1,3-dihydro-6,7-dihydroxy-3-oxo-2H-isoindol-2-yl]-1H-3,4-dihydroxyisoindole-1,3(2H)-dione
  参考文献：
  名称：

  2,3-Dihydro-6,7-dihydroxy-1H-isoindol-1-one-Based HIV-1 Integrase Inhibitors

  摘要：

  The bis-salicylhydrazides class of HIV-1 integrase (IN) inhibitors has been postulated to function by metal chelation. However, members of this series exhibit potent inhibition only when Mn2+ is used as cofactor. The current study found that bis-aroylhydrazides could acquire inhibitory potency in Mg2+ using dihydroxybenzoyl substituents as both the right and left components of the hydrazide moiety. Employing a 2,3-dihydro-6,7-dihydroxy-1H-isoindol-1-one ring system as a conformationally constrained 2,3-dihydroxybenzoyl equivalent provided good selectivity for IN-catalyzed strand transfer versus the 3'-processing reactions as well as antiviral efficacy in cells using HIV-1 based vectors.

  DOI：

  10.1021/jm070715d

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.