Tritert-butyl 10-[2-[2-[3-acridin-9-ylpropanoyl-[2-[2-[3-acridin-9-ylpropanoyl-(2-ethoxy-2-oxoethyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate | 1257242-37-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: Tritert-butyl 10-[2-[2-[3-acridin-9-ylpropanoyl-[2-[2-[3-acridin-9-ylpropanoyl-(2-ethoxy-2-oxoethyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
• CAS: 1257242-37-7
• 化学式: C₆₇H₈₈N₁₀O₁₂
• 分子量: 1225.5
• InChiKey: RMBHJSLMNZQWEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  89
• 可旋转键数：
  26
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  243
• 氢给体数：
  2
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  Tritert-butyl 10-[2-[2-[3-acridin-9-ylpropanoyl-[2-[2-[3-acridin-9-ylpropanoyl-(2-ethoxy-2-oxoethyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate 在 盐酸 、 水 作用下， 以 乙醇 为溶剂， 反应 0.03h， 以79%的产率得到Ethyl 2-[3-acridin-9-ylpropanoyl-[2-[[2-[3-acridin-9-ylpropanoyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]amino]acetyl]amino]ethyl]amino]acetate
  参考文献：
  名称：

  Synthesis, DNA binding and cleavage activity of macrocyclic polyamines bearing mono- or bis-acridine moieties

  摘要：

  Two acridine-pendant cyclen (1,4,7,10-tetraazacyclododecane) derivatives 1 and 2 were synthesized, and their DNA interactions have been systematically investigated by UV absorption, fluorescence titration, viscosity measurement, DNA melting and gel electrophoresis experiments. The results showed that acridine-cyclen derivatives could bind to DNA in intercalative mode, and bis-acridine 2 has higher DNA binding ability than that of mono-acridine 1. Moreover, both compounds exhibited preferential interactions with G-rich DNA sequences. Their copper(II) complexes could cleave DNA without the existence of other additives under physiological conditions through an oxidative pathway. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.08.051
• 作为产物：
  描述：

  N-[2-(amino)ethyl]-N-[3-(acridin-9-yl)propanoyl]glycine ethyl ester trihydrochloride 、 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以54%的产率得到Tritert-butyl 10-[2-[2-[3-acridin-9-ylpropanoyl-[2-[2-[3-acridin-9-ylpropanoyl-(2-ethoxy-2-oxoethyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
  参考文献：
  名称：

  Synthesis, DNA binding and cleavage activity of macrocyclic polyamines bearing mono- or bis-acridine moieties

  摘要：

  Two acridine-pendant cyclen (1,4,7,10-tetraazacyclododecane) derivatives 1 and 2 were synthesized, and their DNA interactions have been systematically investigated by UV absorption, fluorescence titration, viscosity measurement, DNA melting and gel electrophoresis experiments. The results showed that acridine-cyclen derivatives could bind to DNA in intercalative mode, and bis-acridine 2 has higher DNA binding ability than that of mono-acridine 1. Moreover, both compounds exhibited preferential interactions with G-rich DNA sequences. Their copper(II) complexes could cleave DNA without the existence of other additives under physiological conditions through an oxidative pathway. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.08.051