2,4-difluoro-benzaldehyde-semicarbazone | 120445-60-5

• 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: 2,4-difluoro-benzaldehyde-semicarbazone
• 英文别名: 2,4-Difluor-benzaldehyd-semicarbazon；[(E)-(2,4-difluorophenyl)methylideneamino]urea
• CAS: 120445-60-5
• 化学式: C₈H₇F₂N₃O
• 分子量: 199.16
• InChiKey: BLMHDLZQGBHEGR-UUILKARUSA-N

物化性质

• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,4-二氟苯甲醛 、 盐酸氨基脲 在 sodium acetate 作用下， 以 甲醇 、 水 为溶剂， 反应 2.5h， 生成 2,4-difluoro-benzaldehyde-semicarbazone
  参考文献：
  名称：

  Some aryl semicarbazones possessing anticonvulsant activitie

  摘要：

  A number of aryl semicarbazones displayed anticonvulsant activity in the maximal electroshock (MES) and subcutaneous pentylenetetrazole (scPTZ) screens when administered intraperitoneally to mice. When given by the oral route to rats, protection was afforded in the MES but not scPTZ tests. Correlations were noted between the sigma and sigma* values of the aryl substituents, the interplanar angles made by the aryl rings with the adjacent carbimino groups and the shapes of certain semicarbazones determined by X-ray crystallography, and the activities in the rat oral MES screen. Molecular modeling studies revealed a number of statistically significant descriptors which contributed to anticonvulsant activity.

  DOI：

  10.1016/0223-5234(96)88237-7

文献信息

• Some aryl semicarbazones possessing anticonvulsant activitie
  作者：JR Dimmock、KK Sidhu、SD Tumber、SK Basran、M Chen、JW Quail、J Yang、I Rozas、DF Weaver

  DOI：10.1016/0223-5234(96)88237-7

  日期：——

  A number of aryl semicarbazones displayed anticonvulsant activity in the maximal electroshock (MES) and subcutaneous pentylenetetrazole (scPTZ) screens when administered intraperitoneally to mice. When given by the oral route to rats, protection was afforded in the MES but not scPTZ tests. Correlations were noted between the sigma and sigma* values of the aryl substituents, the interplanar angles made by the aryl rings with the adjacent carbimino groups and the shapes of certain semicarbazones determined by X-ray crystallography, and the activities in the rat oral MES screen. Molecular modeling studies revealed a number of statistically significant descriptors which contributed to anticonvulsant activity.