cholest-5-en-3-one o-toludinethiosemicarbazone | 1157853-51-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: cholest-5-en-3-one o-toludinethiosemicarbazone
• CAS: 1157853-51-4
• 化学式: C₃₅H₅₃N₃S
• 分子量: 547.892
• InChiKey: RQAKRRIPYKMQRX-GBSFVCEESA-N

物化性质

• 熔点：
  210 °C(Solvent: Methanol)
• 沸点：
  622.0±58.0 °C(predicted)
• 密度：
  1.13±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.68
• 重原子数：
  39.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  36.42
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  5-胆甾烯-3-酮 、 4-2-甲氧基苯基-3-氨基硫脲 以 甲醇 为溶剂， 反应 5.0h， 以64%的产率得到cholest-5-en-3-one o-toludinethiosemicarbazone
  参考文献：
  名称：

  Synthesis, spectral studies and in vitro antibacterial activity of steroidal thiosemicarbazone and their palladium (Pd (II)) complexes

  摘要：

  We investigated the antibacterial activity of some new steroidal thiosemicarbazone and their Pd(H) metal complexes. Metal complexes were prepared from the reaction of steroidal thiosemicarbazone with [Pd(DMSO)(2)Cl-2]. Coordination via the thionic sulphur and the azomethine nitrogen atom of the thiosemicarbazone to the metal ion, the thiosemicarbazone derivatives were obtained by the thiosemicarbazide with steroidal ketones. All the compounds have been confirmed by spectral data. The antibacterial activity of these compounds was first tested in vitro by the disk diffusion assay against two gram-positive and two gram-negative bacteria, and then the minimum inhibitory concentration (MIC) was determined. The results showed that steroidal complexes are better inhibit growth as compared to steroidal thiosemicarbazones of both types of the bacteria (gram-positive and gram-negative); compound la is better antibacterial agent as compared to amoxicillin. (C) 2008 Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2008.06.008