6-(4-methylpiperazin-1-ylmethyl)benzo[4,5]imidazo[1,2-c]quinazoline | 105997-09-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 6-(4-methylpiperazin-1-ylmethyl)benzo[4,5]imidazo[1,2-c]quinazoline
• 英文别名: 6-[(4-Methylpiperazin-1-yl)methyl]benzimidazolo[1,2-c]quinazoline
• CAS: 105997-09-9
• 化学式: C₂₀H₂₁N₅
• 分子量: 331.42
• InChiKey: WJDCTCYUIHIINM-UHFFFAOYSA-N

物化性质

• 熔点：
  164-165 °C(Solv: heptane (142-82-5))
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-(4-methylpiperazin-1-ylmethyl)benzo[4,5]imidazo[1,2-c]quinazoline 在 盐酸 、 水 作用下， 反应 0.08h， 生成 N-[2-(1H-benzoimidazol-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide hydrochloride
  参考文献：
  名称：

  Synthesis and affinity to DNA of phenylbenzoimidazoles and benzoimidazo[1,2-c]quinazolines

  摘要：

  Novel N-(benzoimidazophenyl)dialkylaminoalkylamides and 6-dialkylaminoalkylbenzojmidazo[1,2-c]quinazolines were prepared as potential interferon inducers and antiviral agents. They were screened for the DNA affinity by the ethidium bromide displacement assay. It was shown that the lg K-a values of the compounds containing tetracyclic benzoimidazo[1,2-c]quinazoline fragment are approximately one order magnitude greater than those of the corresponding acyclic phenylbenzoimidazole derivatives. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.03.004
• 作为产物：
  描述：

  2-(2-氨基苯基)苯并咪唑 以 1,4-二氧六环 、 乙酸酐 、 溶剂黄146 为溶剂， 生成 6-(4-methylpiperazin-1-ylmethyl)benzo[4,5]imidazo[1,2-c]quinazoline
  参考文献：
  名称：

  Synthesis and anticonvulsant activity of benzimidazo[1, 2-c]quinazolines

  摘要：

  DOI：

  10.1007/bf00758335

文献信息

• BOCTPOBA, L. N.;VORONINA, T. A.;KARASEVA, T. L.;GERNEGA, S. A.;IVANOV, EH+, XIM.-FARMATS. ZH., 1986, 20, N 6, 690-693
  作者：BOCTPOBA, L. N.、VORONINA, T. A.、KARASEVA, T. L.、GERNEGA, S. A.、IVANOV, EH+

  DOI：——

  日期：——
• Synthesis and anticonvulsant activity of benzimidazo[1, 2-c]quinazolines
  作者：L. N. Vostrova、T. A. Voronina、T. L. Karaseva、S. A. Gernega、É. I. Ivanov、A. M. Kirichenko、M. Yu. Totrova

  DOI：10.1007/bf00758335

  日期：1986.6
• Synthesis and affinity to DNA of phenylbenzoimidazoles and benzoimidazo[1,2-c]quinazolines
  作者：Elena A. Lyakhova、Yulia A. Gusyeva、Julia V. Nekhoroshkova、Lev M. Shafran、Sergey A. Lyakhov

  DOI：10.1016/j.ejmech.2009.03.004

  日期：2009.8

  Novel N-(benzoimidazophenyl)dialkylaminoalkylamides and 6-dialkylaminoalkylbenzojmidazo[1,2-c]quinazolines were prepared as potential interferon inducers and antiviral agents. They were screened for the DNA affinity by the ethidium bromide displacement assay. It was shown that the lg K-a values of the compounds containing tetracyclic benzoimidazo[1,2-c]quinazoline fragment are approximately one order magnitude greater than those of the corresponding acyclic phenylbenzoimidazole derivatives. (C) 2009 Elsevier Masson SAS. All rights reserved.