2,2,5,7,8-Pentamethyl-chroman-6-sulfonic acid (3-amino-propoxy)-(3-amino-propyl)-amide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2,2,5,7,8-Pentamethyl-chroman-6-sulfonic acid (3-amino-propoxy)-(3-amino-propyl)-amide
• 英文别名: N-(3-aminopropoxy)-N-(3-aminopropyl)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide
• 化学式: C₂₀H₃₅N₃O₄S
• 分子量: 413.582
• InChiKey: TYXGXDRHRRDXMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,2,5,7,8-Pentamethyl-chroman-6-sulfonic acid (3-amino-propoxy)-(3-amino-propyl)-amide 在 氢溴酸 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 以47%的产率得到O,N-Bis-(3-amino-propyl)-hydroxylamine; hydrobromide
  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：

  N-[3-(1,3-dioxoisoindol-2-yl)propoxy]-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide 在 potassium carbonate 、 一水合肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 2,2,5,7,8-Pentamethyl-chroman-6-sulfonic acid (3-amino-propoxy)-(3-amino-propyl)-amide
  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

文献信息

• 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.