2-(N,N-diethylamino)carbonyloxymethyl-1-(4-hydroxy-3,5-dimethoxybenzoyl)-4-triphenylmethylpiperazine | 916974-76-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 2-(N,N-diethylamino)carbonyloxymethyl-1-(4-hydroxy-3,5-dimethoxybenzoyl)-4-triphenylmethylpiperazine
• CAS: 916974-76-0
• 化学式: C₃₈H₄₃N₃O₆
• 分子量: 637.776
• InChiKey: KLFWCIPTPRFAQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.01
• 重原子数：
  47.0
• 可旋转键数：
  11.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  91.78
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2-(N,N-diethylamino)carbonyloxymethyl-1-(4-hydroxy-3,5-dimethoxybenzoyl)-4-triphenylmethylpiperazine 在 盐酸 、 potassium carbonate 、 potassium iodide 作用下， 以 甲醇 、 丙酮 、 乙腈 为溶剂， 反应 9.0h， 生成 4-benzyl-1-(4-butoxy-3,5-dimethoxybenzoyl)-2-(N,N-diethylamino)carbonyloxymethylpiperazine
  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
• 作为产物：
  描述：

  2-(N,N-diethylaminocarbonyloxymethyl)piperazine hydrochloride 在 1-羟基苯并三唑 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 2-(N,N-diethylamino)carbonyloxymethyl-1-(4-hydroxy-3,5-dimethoxybenzoyl)-4-triphenylmethylpiperazine
  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