1-(4-carboxyphenyl)-3-methyl-3-pentyltriazene | 74109-23-2

• 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: 1-(4-carboxyphenyl)-3-methyl-3-pentyltriazene
• 英文别名: 4-[[Methyl(pentyl)amino]diazenyl]benzoic acid
• CAS: 74109-23-2
• 化学式: C₁₃H₁₉N₃O₂
• 分子量: 249.313
• InChiKey: TUJYUSMRVZZAIX-UHFFFAOYSA-N

物化性质

• 沸点：
  381.0±44.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  65.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对氨基苯甲酸 、 N-甲基-1-戊烷胺盐酸盐 在 盐酸 、 sodium hydroxide 、 sodium nitrite 作用下， 生成 1-(4-carboxyphenyl)-3-methyl-3-pentyltriazene
  参考文献：
  名称：

  Tumor inhibitory triazenes. 2. Variation of antitumor activity within an homologous series

  摘要：

  An homologous series of water-soluble, chemically stable analogues of 5-(3,3-dimethyl-1-triazeno)imidazole-4-carboxamide (DTIC) has been prepared with activity comparable to DTIC in an experimental tumor system. The antitumor activity of this series of 3-alkyl-1-(4-carboxyphenyl)-3-methyltriazenes rapidly diminishes at alkyl chain lengths greater than pentyl. Partition coefficients were determined, but no relationship between these and antitumor activity could be established.

  DOI：

  10.1021/jm00183a017

文献信息

• Tumor inhibitory triazenes. 2. Variation of antitumor activity within an homologous series
  作者：Derry E. V. Wilman、Phyllis M. Goddard

  DOI：10.1021/jm00183a017

  日期：1980.9

  An homologous series of water-soluble, chemically stable analogues of 5-(3,3-dimethyl-1-triazeno)imidazole-4-carboxamide (DTIC) has been prepared with activity comparable to DTIC in an experimental tumor system. The antitumor activity of this series of 3-alkyl-1-(4-carboxyphenyl)-3-methyltriazenes rapidly diminishes at alkyl chain lengths greater than pentyl. Partition coefficients were determined, but no relationship between these and antitumor activity could be established.