N,N'-butane-1,4-diylbis[2-(dispiro[cyclohexane-1,3'-[1,2,4,5]tetroxane-6',2''-tricyclo[3.3.1.1^3,7]decan]-4-yl)acetamide]

• 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: N,N'-butane-1,4-diylbis[2-(dispiro[cyclohexane-1,3'-[1,2,4,5]tetroxane-6',2''-tricyclo[3.3.1.1^3,7]decan]-4-yl)acetamide]
• 化学式: C₄₀H₆₀N₂O₁₀
• 分子量: 728.924
• InChiKey: DVBXOUXSTCIMBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  52
• 可旋转键数：
  9
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  ethyl dispiro[cyclohexane-1,3'-[1,2,4,5]tetroxane-6',2''-tricyclo[3.3.1.1(3,7)]decan]-4-ylacetate 在 三乙胺 、 potassium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 4.0h， 生成 N,N'-butane-1,4-diylbis[2-(dispiro[cyclohexane-1,3'-[1,2,4,5]tetroxane-6',2''-tricyclo[3.3.1.1^3,7]decan]-4-yl)acetamide]
  参考文献：
  名称：

  Synthesis and evaluation of the antimalarial, anticancer, and caspase 3 activities of tetraoxane dimers

  摘要：

  The synthesis of a range of mono spiro and dispiro 1,2,4,5-tetraoxane dimers is described. Selected molecules were examined in in vitro assays to determine their antimalarial and anticancer potential. Our studies reveal that several molecules possess potent nanomolar antimalarial and single digit micromolar antiproliferative IC(50)s versus colon (HT29-AK and leukemia (HL60) cell lines. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.09.047

文献信息

• Synthesis and evaluation of the antimalarial, anticancer, and caspase 3 activities of tetraoxane dimers
  作者：Richard K. Amewu、James Chadwick、Afthab Hussain、Somnath Panda、Rinki Rinki、Omar Janneh、Stephen A. Ward、Candel Miguel、Hollie Burrell-Saward、Livia Vivas、Paul M. O’Neill

  DOI：10.1016/j.bmc.2013.09.047

  日期：2013.12

  The synthesis of a range of mono spiro and dispiro 1,2,4,5-tetraoxane dimers is described. Selected molecules were examined in in vitro assays to determine their antimalarial and anticancer potential. Our studies reveal that several molecules possess potent nanomolar antimalarial and single digit micromolar antiproliferative IC(50)s versus colon (HT29-AK and leukemia (HL60) cell lines. (C) 2013 Elsevier Ltd. All rights reserved.