1,2-bis-(3-oxobutyl)-4-phenyl-1,2,4-triazolidine-3,5-dione | 6242-04-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,2-bis-(3-oxobutyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
• 英文别名: 1,2-Bis-<3-oxo-butyl>-4-phenyl-<1,2,4>triazolidin-3,5-dion；1,2-Bis(3-oxobutyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
• CAS: 6242-04-2
• 化学式: C₁₆H₁₉N₃O₄
• 分子量: 317.345
• InChiKey: VDIDKOAJQRANDY-UHFFFAOYSA-N

物化性质

• 熔点：
  90-92 °C
• 沸点：
  457.459±55.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.247±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  78
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-苯基脲唑 、 丁烯酮 在 吡啶 作用下， 以 乙二醇二甲醚 为溶剂， 反应 4.0h， 以57%的产率得到1,2-bis-(3-oxobutyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
  参考文献：
  名称：

  Synthesis and Cytotoxic Action of 1-Oxoalkyl and 1,2-Dioxoalkyl-1,2,4-triazolidine-3,5-diones in Murine and Human Tissue Cultured Cells

  摘要：

  1-Oxoalkyl and 1,2-dioxoalkyl-1,2,4-triazolidine-3,5-diones proved to be potent antineoplastic agents in mouse tumors and potent cytotoxic agents particularly against the growth of suspended tumor cells. The compounds with shorter substituents in position 1 or positions 1 and 2 afforded the better activity. In L1210 lymphoid leukemia cells DNA, RNA, and protein syntheses were inhibited at 100 microM after 60 min. Multiple enzyme sites in nucleic acid metabolism were affected by the compounds, i.e. DNA polymerase alpha, PRPP-amido transferase, dihydrofolate reductase, thymidylate synthetase, and nucleoside kinases. These effects of the agents are probably additive in bringing about inhibition of DNA synthesis and cell death.

  DOI：

  10.1002/(sici)1521-4184(19997)332:7<225::aid-ardp225>3.0.co;2-2