2-Oxo-4-phenyl-1,2,3,4-tetrahydro-quinazoline-6-carboxylic acid | 910212-28-1

• 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: 2-Oxo-4-phenyl-1,2,3,4-tetrahydro-quinazoline-6-carboxylic acid
• CAS: 910212-28-1
• 化学式: C₁₅H₁₂N₂O₃
• 分子量: 268.272
• InChiKey: JKBKXWUDYRBGCY-UHFFFAOYSA-N

物化性质

• 熔点：
  284 °C(Solvent: Water)
• 沸点：
  436.5±45.0 °C(Predicted)
• 密度：
  1.331±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.61
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  78.43
• 氢给体数：
  3.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-Oxo-4-phenyl-1,2,3,4-tetrahydro-quinazoline-6-carboxylic acid 在 polyphosphoric acid 作用下， 以 吡啶 为溶剂， 反应 11.0h， 生成 7-(4-methylphenyl)-4,8,9-triphenyl-3,4-dihydro-1H-pyrido[3,4-g]quinazoline-2,6-dione
  参考文献：
  名称：

  Synthesis andIn VitroEvaluation of N-Aryl Pyrido-Quinazolines Derivatives as Potent Epidermal Growth Factor Receptor Inhibitors

  摘要：

  A series of pyrido‐quinazolines have been synthesised, characterized, and tested for their in vitro epidermal growth factor receptor (EGFR) tyrosine kinase inhibitory activity. The compounds were prepared from Alkylideno/arylideno‐bis‐ureas. Their final structure of the compounds was elucidated on the basis of spectral studies (IR, 1H NMR, FT‐IR, and EI‐MS). The cellular EGFR internalization response of selected compounds was evaluated using HeLa cells. Most of the synthesized compounds displayed potent EGFR‐TK inhibitory activity and structurally halogenated derivatives had a pronounced effect in inhibiting EGFR internalization.

  DOI：

  10.1111/cbdd.12133
• 作为产物：
  描述：

  苯甲醛 以 乙醇 为溶剂， 反应 8.0h， 生成 2-Oxo-4-phenyl-1,2,3,4-tetrahydro-quinazoline-6-carboxylic acid
  参考文献：
  名称：

  Synthesis andIn VitroEvaluation of N-Aryl Pyrido-Quinazolines Derivatives as Potent Epidermal Growth Factor Receptor Inhibitors

  摘要：

  A series of pyrido‐quinazolines have been synthesised, characterized, and tested for their in vitro epidermal growth factor receptor (EGFR) tyrosine kinase inhibitory activity. The compounds were prepared from Alkylideno/arylideno‐bis‐ureas. Their final structure of the compounds was elucidated on the basis of spectral studies (IR, 1H NMR, FT‐IR, and EI‐MS). The cellular EGFR internalization response of selected compounds was evaluated using HeLa cells. Most of the synthesized compounds displayed potent EGFR‐TK inhibitory activity and structurally halogenated derivatives had a pronounced effect in inhibiting EGFR internalization.

  DOI：

  10.1111/cbdd.12133

文献信息

• Synthesis and pharmacological study of novel pyrido-quinazolone analogues as anti-fungal, antibacterial, and anticancer agents
  作者：Anjani K. Tiwari、A.K. Mishra、Aruna Bajpai、Pushpa Mishra、R.K. Sharma、V.K. Pandey、Vinay Kumar Singh

  DOI：10.1016/j.bmcl.2006.06.015

  日期：2006.9

  A versatile method for novel pyrido-quinazolones was described here and tested for anti-fungal, antibacterial, and anticancerous activities. These synthesized compounds were characterized on the basis of spectroscopic techniques and evaluated for specific radiopharmaceuticals. Preliminary radiolabeling results with Tc-99m and biological evaluation studies showed promising results for further evaluation in vivo. The efficiency of labeling was more than 98% and complexes were stable for about 18 h at 25 degrees C in the presence of serum. (c) 2006 Elsevier Ltd. All rights reserved.
• Singh; Pandey, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006, vol. 45, # 12, p. 2745 - 2748
  作者：Singh、Pandey

  DOI：——

  日期：——