{3-[tert-Butoxycarbonyl-(4-tert-butoxycarbonylamino-butyl)-amino]-propyl}-but-3-ynyl-carbamic acid tert-butyl ester | 681124-08-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: {3-[tert-Butoxycarbonyl-(4-tert-butoxycarbonylamino-butyl)-amino]-propyl}-but-3-ynyl-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-but-3-ynyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propyl]carbamate
• CAS: 681124-08-3
• 化学式: C₂₆H₄₇N₃O₆
• 分子量: 497.676
• InChiKey: YATFGLSCNLCQHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  35
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  97.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  {3-[tert-Butoxycarbonyl-(4-tert-butoxycarbonylamino-butyl)-amino]-propyl}-but-3-ynyl-carbamic acid tert-butyl ester 在 copper(l) iodide 、 四(三苯基膦)钯 盐酸 、 二乙胺 作用下， 以 1,4-二氧六环 、 苯 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and DNA damaging ability of enediyne–polyamine conjugates

  摘要：

  Polyamine-enediyne conjugates were synthesized and exhibited potent DNA damaging ability under physiological conditions. The extent of their activity was shown to depend upon the polyamine length that regulates the DNA binding affinity of the conjugates, and enhanced DNA damaging activities were observed under slightly acidic conditions. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.12.139
• 作为产物：
  描述：

  tert-butyl N-(4-aminobutyl)-N-(3-oxopropyl)dicarbamate 在 sodium hydroxide 、 sodium tetrahydroborate 、 magnesium sulfate 作用下， 以 1,4-二氧六环 、 甲醇 、 氯仿 为溶剂， 生成 {3-[tert-Butoxycarbonyl-(4-tert-butoxycarbonylamino-butyl)-amino]-propyl}-but-3-ynyl-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis and DNA damaging ability of enediyne–polyamine conjugates

  摘要：

  Polyamine-enediyne conjugates were synthesized and exhibited potent DNA damaging ability under physiological conditions. The extent of their activity was shown to depend upon the polyamine length that regulates the DNA binding affinity of the conjugates, and enhanced DNA damaging activities were observed under slightly acidic conditions. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.12.139

文献信息

• Synthesis and DNA damaging ability of enediyne–polyamine conjugates
  作者：Ichiro Suzuki、Akira Shigenaga、Hisao Nemoto、Masayuki Shibuya

  DOI：10.1016/j.tetlet.2003.12.139

  日期：2004.2

  Polyamine-enediyne conjugates were synthesized and exhibited potent DNA damaging ability under physiological conditions. The extent of their activity was shown to depend upon the polyamine length that regulates the DNA binding affinity of the conjugates, and enhanced DNA damaging activities were observed under slightly acidic conditions. (C) 2004 Elsevier Ltd. All rights reserved.