9-[4'-N-(N-t-Boc-L-alanyl-L-alanyl-L-alanyl)aminophenyl]acridine | 1013398-86-1

• 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: 9-[4'-N-(N-t-Boc-L-alanyl-L-alanyl-L-alanyl)aminophenyl]acridine
• CAS: 1013398-86-1
• 化学式: C₃₃H₃₇N₅O₅
• 分子量: 583.687
• InChiKey: CQWGLNSMGVQSCV-ACRUOGEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.92
• 重原子数：
  43.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  138.52
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  9-[4'-N-(N-t-Boc-L-alanyl-L-alanyl-L-alanyl)aminophenyl]acridine 、 碘甲烷 以 对二甲苯 为溶剂， 反应 72.0h， 以80%的产率得到9-[4'-N-(N-t-Boc-L-alanyl-L-alanyl-L-alanyl)aminophenyl]-10-methylacridinium iodide
  参考文献：
  名称：

  Synthesis and evaluation of novel chromogenic peptidase substrates based on 9-(4′-aminophenyl)-10-methylacridinium salts as diagnostic tools in clinical bacteriology

  摘要：

  The synthesis and initial evaluation of novel chromogenic substrates with potential in the detection and differentiation of cultured bacterial colonies are described. The substrates were readily hydrolysed by specific aminopeptidase activity to release the chromogen9-(4 '-aminophenyl)-10-methylacridinium salt which provided a clear visual indication of the presence of the corresponding bacteria. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.018
• 作为产物：
  描述：

  9-(4'-aminophenyl)acridine 、 Boc-Ala-Ala-Ala-OH 在 1-羟基苯并三唑 、 N,N'-二异丙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.5h， 以81%的产率得到9-[4'-N-(N-t-Boc-L-alanyl-L-alanyl-L-alanyl)aminophenyl]acridine
  参考文献：
  名称：

  Synthesis and evaluation of novel chromogenic peptidase substrates based on 9-(4′-aminophenyl)-10-methylacridinium salts as diagnostic tools in clinical bacteriology

  摘要：

  The synthesis and initial evaluation of novel chromogenic substrates with potential in the detection and differentiation of cultured bacterial colonies are described. The substrates were readily hydrolysed by specific aminopeptidase activity to release the chromogen9-(4 '-aminophenyl)-10-methylacridinium salt which provided a clear visual indication of the presence of the corresponding bacteria. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.018