tert-butyl N-[(2S,3R)-3-hydroxy-1-phenyl-4-(4-phenylpiperazin-1-yl)butan-2-yl]carbamate | 1146971-34-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tert-butyl N-[(2S,3R)-3-hydroxy-1-phenyl-4-(4-phenylpiperazin-1-yl)butan-2-yl]carbamate
• CAS: 1146971-34-7
• 化学式: C₂₅H₃₅N₃O₃
• 分子量: 425.571
• InChiKey: WGVIOAKACLGRAF-XZOQPEGZSA-N

物化性质

• 熔点：
  183-185 °C(Solvent: Methanol; Water)
• 沸点：
  600.0±55.0 °C(predicted)
• 密度：
  1.128±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  65
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-苯基哌嗪 、 1-苄基-2,3-环氧正丙基-氨基甲酸叔丁酯 以 异丙醇 为溶剂， 反应 16.0h， 以80%的产率得到tert-butyl N-[(2S,3R)-3-hydroxy-1-phenyl-4-(4-phenylpiperazin-1-yl)butan-2-yl]carbamate
  参考文献：
  名称：

  Synthesis and antimalarial activity of hydroxyethylpiperazine derivatives

  摘要：

  The antimalarial activity of hydroxyethylpiperazine derivatives, synthesized from the reaction of (2S,3S)Boc-phenylaianine epoxide with benzylpiperazines in good yields (76-96%), has been evaluated in vitro against the Plasmodium falciparum W2 clone (chloroquine resistant). The results show that some compounds have moderate activity against this parasite and none of the active compounds showed cytotoxicity at high concentration (100 mu g/ml). (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.04.009

文献信息

• Synthesis and antimalarial activity of hydroxyethylpiperazine derivatives
  作者：Wilson Cunico、Claudia R.B. Gomes、Marcele Moreth、Diogo P. Manhanini、Isabela H. Figueiredo、Carmen Penido、Maria G.M.O. Henriques、Fernando P. Varotti、Antoniana U. Krettli

  DOI：10.1016/j.ejmech.2008.04.009

  日期：2009.3

  The antimalarial activity of hydroxyethylpiperazine derivatives, synthesized from the reaction of (2S,3S)Boc-phenylaianine epoxide with benzylpiperazines in good yields (76-96%), has been evaluated in vitro against the Plasmodium falciparum W2 clone (chloroquine resistant). The results show that some compounds have moderate activity against this parasite and none of the active compounds showed cytotoxicity at high concentration (100 mu g/ml). (C) 2008 Elsevier Masson SAS. All rights reserved.