2-(N,N-diethylamino)carbonyloxymethyl-1,4-di(4-hydroxy-3,5-dimethoxybenzoyl)piperazine

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(N,N-diethylamino)carbonyloxymethyl-1,4-di(4-hydroxy-3,5-dimethoxybenzoyl)piperazine
• 英文别名: [1,4-bis(4-hydroxy-3,5-dimethoxy-benzoyl)piperazin-2-yl]methyl N,N-diethylcarbamate；[1,4-bis(4-hydroxy-3,5-dimethoxybenzoyl)piperazin-2-yl]methyl N,N-diethylcarbamate
• 化学式: C₂₈H₃₇N₃O₁₀
• 分子量: 575.616
• InChiKey: OTSUCKQGACTUOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  41
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  148
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  丁香酸 、 2-(N,N-diethylaminocarbonyloxymethyl)piperazine hydrochloride 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以37%的产率得到2-(N,N-diethylamino)carbonyloxymethyl-1,4-di(4-hydroxy-3,5-dimethoxybenzoyl)piperazine
  参考文献：
  名称：

  Structure–activity relationships in platelet-activating factor. Part 13: Synthesis and biological evaluation of piperazine derivatives with dual anti-PAF and anti-HIV-1 or pure antiretroviral activity

  摘要：

  HIV-1 infection of the brain and PAF neurotoxicity are implicated in AIDS dementia complex. We previously reported that a trisubstituted piperazine derivative is able to diminish both HIV-1 replication in monocyte-derived macrophages and PAF-induced platelet aggregation. We report in this work new compounds obtained by modifying its piperazine substituents. The structure-activity relationship study shows that a better dual activity or even pure antiretroviral compounds can be obtained in this series. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.07.031

文献信息

• Structure–activity relationships in platelet-activating factor. Part 13: Synthesis and biological evaluation of piperazine derivatives with dual anti-PAF and anti-HIV-1 or pure antiretroviral activity
  作者：Nawal Serradji、Okkacha Bensaid、Marc Martin、Wafa Sallem、Nathalie Dereuddre-Bosquet、Houcine Benmehdi、Catherine Redeuilh、Aazdine Lamouri、Georges Dive、Pascal Clayette、Françoise Heymans

  DOI：10.1016/j.bmc.2006.07.031

  日期：2006.12

  HIV-1 infection of the brain and PAF neurotoxicity are implicated in AIDS dementia complex. We previously reported that a trisubstituted piperazine derivative is able to diminish both HIV-1 replication in monocyte-derived macrophages and PAF-induced platelet aggregation. We report in this work new compounds obtained by modifying its piperazine substituents. The structure-activity relationship study shows that a better dual activity or even pure antiretroviral compounds can be obtained in this series. (c) 2006 Elsevier Ltd. All rights reserved.