tert-butyl (4-((tert-butoxycarbonyl)(3-((tert-butoxycarbonyl)amino)propyl)amino)butyl)(3-((7-(N,N-dimethylsulfamoyl)benzo[c][1,2,5]oxadiazol-4-yl)amino)propyl)carbamate | 1104804-51-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: tert-butyl (4-((tert-butoxycarbonyl)(3-((tert-butoxycarbonyl)amino)propyl)amino)butyl)(3-((7-(N,N-dimethylsulfamoyl)benzo[c][1,2,5]oxadiazol-4-yl)amino)propyl)carbamate
• CAS: 1104804-51-4
• 化学式: C₃₃H₅₇N₇O₉S
• 分子量: 727.923
• InChiKey: NZNFTHMDMHQYSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.44
• 重原子数：
  50.0
• 可旋转键数：
  16.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  185.74
• 氢给体数：
  2.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (4-((tert-butoxycarbonyl)(3-((tert-butoxycarbonyl)amino)propyl)amino)butyl)(3-((7-(N,N-dimethylsulfamoyl)benzo[c][1,2,5]oxadiazol-4-yl)amino)propyl)carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以60%的产率得到7-[3-[4-(3-aminopropylamino)butylamino]propylamino]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
  参考文献：
  名称：

  Synthesis of conjugated spermine derivatives with 7-nitrobenzoxadiazole (NBD), rhodamine and bodipy as new fluorescent probes for the polyamine transport system

  摘要：

  The synthesis of a series of conjugated spermine derivatives with benzoxadiazole, phenylxanthene or bodipy fluorophores is described. These fluorescent probes were used to identify the activity of the polyamine transport system (PTS). N-1-Methylspermine NBD conjugate 5 proved to have the optimal fluorescence characteristics and was used to show a selectivity for PTS-proficient CHO versus PTS-deficient CHO-MG cells. It can therefore be used as a tool for the selection of cells sensitive to cytotoxic compounds vectored through the PTS. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.052
• 作为产物：
  描述：

  2-甲基-2-丙基(3-氨基丙基)[4-({[(2-甲基-2-丙基)氧基]羰基}[3-({[(2-甲基-2-丙基)氧基]羰基}氨基)丙基]氨基)丁基]氨基甲酸酯 、 4-(N,N-二甲基胺磺酰基)-7-氟苯并呋喃 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以95%的产率得到tert-butyl (4-((tert-butoxycarbonyl)(3-((tert-butoxycarbonyl)amino)propyl)amino)butyl)(3-((7-(N,N-dimethylsulfamoyl)benzo[c][1,2,5]oxadiazol-4-yl)amino)propyl)carbamate
  参考文献：
  名称：

  Synthesis of conjugated spermine derivatives with 7-nitrobenzoxadiazole (NBD), rhodamine and bodipy as new fluorescent probes for the polyamine transport system

  摘要：

  The synthesis of a series of conjugated spermine derivatives with benzoxadiazole, phenylxanthene or bodipy fluorophores is described. These fluorescent probes were used to identify the activity of the polyamine transport system (PTS). N-1-Methylspermine NBD conjugate 5 proved to have the optimal fluorescence characteristics and was used to show a selectivity for PTS-proficient CHO versus PTS-deficient CHO-MG cells. It can therefore be used as a tool for the selection of cells sensitive to cytotoxic compounds vectored through the PTS. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.052