1,12-diphthalimidooxy-4,9-di(2,2,5,7,8-pentamethyl-3,4-diydro-2H-chromen-6-sulphonyl)-4,9-diaza-5,9-dioxadodecane | 431047-53-9

• 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: 1,12-diphthalimidooxy-4,9-di(2,2,5,7,8-pentamethyl-3,4-diydro-2H-chromen-6-sulphonyl)-4,9-diaza-5,9-dioxadodecane
• CAS: 431047-53-9
• 化学式: C₅₃H₆₄N₄O₁₄S₂
• 分子量: 1045.24
• InChiKey: DSOOCANJPUXQLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.92
• 重原子数：
  73.0
• 可旋转键数：
  20.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  204.9
• 氢给体数：
  0.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  1,12-diphthalimidooxy-4,9-di(2,2,5,7,8-pentamethyl-3,4-diydro-2H-chromen-6-sulphonyl)-4,9-diaza-5,9-dioxadodecane 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 4,9-bis(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-sulphonyl)-5,9-dioxa-4,10-diazotridecane 1,13-dioxyamine
  参考文献：
  名称：

  Novel oxa-spermine homologues: synthesis and cytotoxic properties

  摘要：

  New oxa-spermine homologues 5-9 were synthesised and their anticancer properties were evaluated against a broad spectrum of cancer cells. All compounds, except 9 showed average GI(50) values in the range of 1.89-7.56 muM. SAR studies showed that the cytotoxic activity of these novel oxa-spermines depended on the length of the alkyl chain, the position of the oxa-amino functionality and also, on the type of sulphonamido group in the molecule. Although the mechanism of action of these compound remains to be elucidated, it would appear that direct drug-DNA interactions are not involved in the mode of action of these drugs. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00317-0
• 作为产物：
  描述：

  2,2,5,7,8-五甲基苯并二氢吡喃-6-磺酰氯 在 吡啶 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 1,12-diphthalimidooxy-4,9-di(2,2,5,7,8-pentamethyl-3,4-diydro-2H-chromen-6-sulphonyl)-4,9-diaza-5,9-dioxadodecane
  参考文献：
  名称：

  Novel oxa-spermine homologues: synthesis and cytotoxic properties

  摘要：

  New oxa-spermine homologues 5-9 were synthesised and their anticancer properties were evaluated against a broad spectrum of cancer cells. All compounds, except 9 showed average GI(50) values in the range of 1.89-7.56 muM. SAR studies showed that the cytotoxic activity of these novel oxa-spermines depended on the length of the alkyl chain, the position of the oxa-amino functionality and also, on the type of sulphonamido group in the molecule. Although the mechanism of action of these compound remains to be elucidated, it would appear that direct drug-DNA interactions are not involved in the mode of action of these drugs. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00317-0