2-(N,N-diethylamino)carbonyloxymethyl-1-(4-butoxy-3,5-dimethoxybenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(N,N-diethylamino)carbonyloxymethyl-1-(4-butoxy-3,5-dimethoxybenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
• 英文别名: [1-(4-butoxy-3,5-dimethoxy-benzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N,N-diethylcarbamate；[1-(4-butoxy-3,5-dimethoxybenzoyl)-4-(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N,N-diethylcarbamate
• 化学式: C₃₃H₄₇N₃O₁₀
• 分子量: 645.75
• InChiKey: PFECABSCJAVMDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  46
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  126
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  丁香酸 在 potassium carbonate 、 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 、 丙酮 为溶剂， 反应 72.0h， 生成 2-(N,N-diethylamino)carbonyloxymethyl-1-(4-butoxy-3,5-dimethoxybenzoyl)-4-(3,4,5-trimethoxybenzoyl)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.