(2S)-N'-[(E)-3-(benzenesulfonyl)prop-2-enoyl]-N'-benzyl-2-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-4-methylpentanehydrazide | 1352129-13-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-N'-[(E)-3-(benzenesulfonyl)prop-2-enoyl]-N'-benzyl-2-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-4-methylpentanehydrazide
• CAS: 1352129-13-5
• 化学式: C₂₇H₂₉N₃O₇S
• 分子量: 539.609
• InChiKey: DUYREPLOVDOYQV-JLVIMGNISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  147
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (2E)-3-(phenylthio)acrylic acid 在 三乙胺 、 间氯过氧苯甲酸 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 (2S)-N'-[(E)-3-(benzenesulfonyl)prop-2-enoyl]-N'-benzyl-2-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-4-methylpentanehydrazide
  参考文献：
  名称：

  Aza vinyl sulfones: Synthesis and evaluation as antiplasmodial agents

  摘要：

  A series of novel aza vinyl sulfones were designed, synthesized in good yields and evaluated as antiplasmodial agents. Tested compounds did not show activity against papain or the Plasmodium falciparum cysteine protease falcipain-2. However, a number of the new compounds effectively inhibited the in vitro development of P. falciparum. Compounds containing a squaramide group were the most active, with IC(50) values between 0.95 and 4.5 mu M, suggesting that these are potential lead compounds for the development of new antimalarial agents. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.10.018

文献信息

• Aza vinyl sulfones: Synthesis and evaluation as antiplasmodial agents
  作者：Paulo M.C. Glória、Jiri Gut、Lídia M. Gonçalves、Philip J. Rosenthal、Rui Moreira、Maria M.M. Santos

  DOI：10.1016/j.bmc.2011.10.018

  日期：2011.12

  A series of novel aza vinyl sulfones were designed, synthesized in good yields and evaluated as antiplasmodial agents. Tested compounds did not show activity against papain or the Plasmodium falciparum cysteine protease falcipain-2. However, a number of the new compounds effectively inhibited the in vitro development of P. falciparum. Compounds containing a squaramide group were the most active, with IC(50) values between 0.95 and 4.5 mu M, suggesting that these are potential lead compounds for the development of new antimalarial agents. (C) 2011 Elsevier Ltd. All rights reserved.