(6-Amino-acridin-3-yl)-{2-[bis-(1-trityl-1H-imidazol-4-ylmethyl)-amino]-ethyl}-carbamic acid tert-butyl ester | 180138-08-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (6-Amino-acridin-3-yl)-{2-[bis-(1-trityl-1H-imidazol-4-ylmethyl)-amino]-ethyl}-carbamic acid tert-butyl ester
• CAS: 180138-08-3
• 化学式: C₆₆H₆₀N₈O₂
• 分子量: 997.255
• InChiKey: MCDCYDIGIKTPKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.49
• 重原子数：
  76.0
• 可旋转键数：
  16.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  107.33
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (6-Amino-acridin-3-yl)-{2-[bis-(1-trityl-1H-imidazol-4-ylmethyl)-amino]-ethyl}-carbamic acid tert-butyl ester 在 盐酸 作用下， 反应 2.0h， 以85%的产率得到N⁶-{2-[Bis-(1H-imidazol-4-ylmethyl)-amino]-ethyl}-acridine-3,6-diamine
  参考文献：
  名称：

  Syntheses of imidazole-acridine conjugates as ribonuclease A mimics

  摘要：

  As a result of efforts to mimic the activity of RNase A we report the syntheses of two novel molecules 1 and 2 containing imidazole residues conjugated to an acridine, a well known intercalator and as such these molecules simultaneously have substrate recognition and potential catalytic ability. t-RNA cleavage by I and 2 is reported. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0040-4039(96)00843-x
• 作为产物：
  描述：

  2-[Bis-(1H-imidazol-4-ylmethyl)-amino]-ethanol 在 氯化亚砜 、 sodium hydride 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 (6-Amino-acridin-3-yl)-{2-[bis-(1-trityl-1H-imidazol-4-ylmethyl)-amino]-ethyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Syntheses of imidazole-acridine conjugates as ribonuclease A mimics

  摘要：

  As a result of efforts to mimic the activity of RNase A we report the syntheses of two novel molecules 1 and 2 containing imidazole residues conjugated to an acridine, a well known intercalator and as such these molecules simultaneously have substrate recognition and potential catalytic ability. t-RNA cleavage by I and 2 is reported. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0040-4039(96)00843-x