tert-butyl (3-((tert-butoxycarbonyl)(2-(4-(7-(N,N-dimethylsulfamoyl)benzo[c][1,2,5]oxadiazol-4-yl)piperazin-1-yl)-2-oxoethyl)amino)propyl)(4-((tert-butoxycarbonyl)(3-((tert-butoxycarbonyl)amino)propyl)amino)butyl)carbamate | 1196681-10-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tert-butyl (3-((tert-butoxycarbonyl)(2-(4-(7-(N,N-dimethylsulfamoyl)benzo[c][1,2,5]oxadiazol-4-yl)piperazin-1-yl)-2-oxoethyl)amino)propyl)(4-((tert-butoxycarbonyl)(3-((tert-butoxycarbonyl)amino)propyl)amino)butyl)carbamate
• CAS: 1196681-10-3
• 化学式: C₄₄H₇₅N₉O₁₂S
• 分子量: 954.199
• InChiKey: XRFGEQRWBJTJNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.92
• 重原子数：
  66.0
• 可旋转键数：
  18.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  226.8
• 氢给体数：
  1.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (3-((tert-butoxycarbonyl)(2-(4-(7-(N,N-dimethylsulfamoyl)benzo[c][1,2,5]oxadiazol-4-yl)piperazin-1-yl)-2-oxoethyl)amino)propyl)(4-((tert-butoxycarbonyl)(3-((tert-butoxycarbonyl)amino)propyl)amino)butyl)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-[4-[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetyl]piperazin-1-yl]-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：

  4-(N,N-二甲基氨基磺酰)-7-哌嗪苯并氧杂恶二唑 、 9,14,18-tris(tert-butoxycarbonyl)-2,2-dimethyl-4-oxo-3-oxa-5,9,14,18-tetraazaicosan-20-oic acid 在 O‐(1H‐benzotriazol‐1‐yl)‐N,N,N′,N′‐tetramethyluronium tetrafluoroborate 作用下， 以 乙腈 为溶剂， 以52%的产率得到tert-butyl (3-((tert-butoxycarbonyl)(2-(4-(7-(N,N-dimethylsulfamoyl)benzo[c][1,2,5]oxadiazol-4-yl)piperazin-1-yl)-2-oxoethyl)amino)propyl)(4-((tert-butoxycarbonyl)(3-((tert-butoxycarbonyl)amino)propyl)amino)butyl)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