2-methyl-3-(3-phenyl-4-oxothiazolidin-2-ylidene)amino-4(3H)-quinazolinone | 98166-39-3

• 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-methyl-3-(3-phenyl-4-oxothiazolidin-2-ylidene)amino-4(3H)-quinazolinone
• 英文别名: 3-(4-oxo-3-phenylthiazolidin-2-ylideneamino)-2-methylquinazolin-4(3H)-one；2-(2-Methyl-4-oxoquinazolin-3-yl)imino-3-phenyl-1,3-thiazolidin-4-one
• CAS: 98166-39-3
• 化学式: C₁₈H₁₄N₄O₂S
• 分子量: 350.401
• InChiKey: ZAILBPQLOQSBAI-UHFFFAOYSA-N

物化性质

• 沸点：
  529.3±33.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  90.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氨基-2-甲基-4(3H)喹唑啉酮 在 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 2-methyl-3-(3-phenyl-4-oxothiazolidin-2-ylidene)amino-4(3H)-quinazolinone
  参考文献：
  名称：

  Synthesis and anti-microbial evaluation of 2-methyl-3-substituted-4(3H)-quinazolinones

  摘要：

  DOI：

  10.1016/0223-5234(87)90277-7

文献信息

• Antitumor and antileishmanial evaluation of novel heterocycles derived from quinazoline scaffold: a molecular modeling approach
  作者：Daisy H. Fleita、Rafat M. Mohareb、Ola K. Sakka

  DOI：10.1007/s00044-012-0213-9

  日期：2013.5

  Novel thiazole, pyrimidine and benzylidene derivatives derived from quinazoline scaffold have been synthesized. The antitumor evaluation of the newly synthesized products against three cancer cell lines namely breast adenocarcinoma (MCF-7), non-small cell lung cancer (NCI-H460), and CNS cancer (SF-268) showed that the benzylidene-quinazoline derivative 12a showed remarkable activity against all three cell lines. The thiazolo-quinazoline derivative 10 showed greater activity than the control against breast adenocarcinoma (MCF-7) with a concentration of 0.01 mu M. Moreover, the antileishmanial activity of the newly synthesized products tested on Leishmania donovani amastigotes showed that compounds 4, 14, and 18 had very promising activity.
• El-Feky, Pharmazie, 1993, vol. 48, # 12, p. 894 - 896
  作者：El-Feky

  DOI：——

  日期：——