N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-[3-(1,3-dioxoisoindol-2-yl)propoxy]-2,4,6-trimethylbenzenesulfonamide | 209115-42-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-[3-(1,3-dioxoisoindol-2-yl)propoxy]-2,4,6-trimethylbenzenesulfonamide
• CAS: 209115-42-4
• 化学式: C₃₂H₃₃N₃O₇S
• 分子量: 603.696
• InChiKey: YILPGLPKZHBPIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  43
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  130
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-[3-(1,3-dioxoisoindol-2-yl)propoxy]-2,4,6-trimethylbenzenesulfonamide 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 N-(4-Amino-butyl)-N-(3-amino-propoxy)-2,4,6-trimethyl-benzenesulfonamide
  参考文献：
  名称：

  The synthesis and in vitro cytotoxic studies of novel oxa-spermidine derivatives and homologues

  摘要：

  A series of oxa-spermidine derivatives and homologues were prepared and their anticancer properties were evaluated. All these compounds showed an average GI(50) value in the range of 3.9-28.9 mu M. SAR studies showed that the presence of a sulphonamido functionality and the length of the alkyl chain are important factors for an enhanced activity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00201-8
• 作为产物：
  描述：

  2,4,6-三甲基苯磺酰氯 在 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 生成 N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-[3-(1,3-dioxoisoindol-2-yl)propoxy]-2,4,6-trimethylbenzenesulfonamide
  参考文献：
  名称：

  The Synthesis of Oxa-Analogues and Homologues of Naturally Occurring Polyamines

  摘要：

  DOI：

  10.1055/s-1998-2073

文献信息

• The Synthesis of Oxa-Analogues and Homologues of Naturally Occurring Polyamines
  作者：P. Kong Thoo Lin

  DOI：10.1055/s-1998-2073

  日期：1998.6
• The synthesis and in vitro cytotoxic studies of novel oxa-spermidine derivatives and homologues
  作者：Vladimir A Kuksa、Valentin A Pavlov、Paul Kong Thoo Lin

  DOI：10.1016/s0960-894x(00)00201-8

  日期：2000.6

  A series of oxa-spermidine derivatives and homologues were prepared and their anticancer properties were evaluated. All these compounds showed an average GI(50) value in the range of 3.9-28.9 mu M. SAR studies showed that the presence of a sulphonamido functionality and the length of the alkyl chain are important factors for an enhanced activity. (C) 2000 Elsevier Science Ltd. All rights reserved.