3-<3-<3-(formylamino)benzene-1-carboxamido>benzene-1-carboxamido>propionamidine | 98260-23-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-<3-<3-(formylamino)benzene-1-carboxamido>benzene-1-carboxamido>propionamidine
• 英文别名: N-[3-[(3-amino-3-iminopropyl)carbamoyl]phenyl]-3-formamidobenzamide
• CAS: 98260-23-2
• 化学式: C₁₈H₁₉N₅O₃
• 分子量: 353.381
• InChiKey: ATODJPWJRWRWNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  137
• 氢给体数：
  5
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-<3-(3-Amino-benzamido)-benzamido>-propionamidin 、 甲乙酐 反应 1.0h， 生成 3-<3-<3-(formylamino)benzene-1-carboxamido>benzene-1-carboxamido>propionamidine
  参考文献：
  名称：

  Synthesis, DNA binding properties and biological evaluation of novel oligo-meta-benzamides related to netropsin

  摘要：

  A series of oligo-meta-benzamides structurally related to the natural agent netropsin have been synthesized. Their binding constants to double-stranded polynucleotides as well as their cytostatic activity against tumor cell lines and their in vitro activity against a wide variety of DNA and RNA viruses have been determined. Most of these analogues retain the DNA binding capacity of the parent compound but with a notable decrease of selectivity and affinity. Like netropsin, the evaluated analogues did not show significant cytostatic and antiviral activity.

  DOI：

  10.1016/0223-5234(91)90058-u

文献信息

• Synthesis, DNA binding properties and biological evaluation of novel oligo-meta-benzamides related to netropsin
  作者：F Debart、G Gosselin、B Rayner、P Le Ber、C Auclair、J Balzarini、E De Clercq、C Paoletti、JL Imbach

  DOI：10.1016/0223-5234(91)90058-u

  日期：1991.4

  A series of oligo-meta-benzamides structurally related to the natural agent netropsin have been synthesized. Their binding constants to double-stranded polynucleotides as well as their cytostatic activity against tumor cell lines and their in vitro activity against a wide variety of DNA and RNA viruses have been determined. Most of these analogues retain the DNA binding capacity of the parent compound but with a notable decrease of selectivity and affinity. Like netropsin, the evaluated analogues did not show significant cytostatic and antiviral activity.