cholest-5-en-7-one N-cyclopentylthiosemicarbazone | 1075249-96-5

• 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-7-one N-cyclopentylthiosemicarbazone
• CAS: 1075249-96-5
• 化学式: C₃₃H₅₅N₃S
• 分子量: 525.886
• InChiKey: BMUJZKMRYZIZDO-JGQHOVBPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.79
• 重原子数：
  37.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  cholest-5-en-7-one 、 4-cyclopentyl thiosemicarbazide 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以53.6%的产率得到cholest-5-en-7-one N-cyclopentylthiosemicarbazone
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activity of new steroidal thiosemicarbazone derivatives

  摘要：

  We investigated the antibacterial activity of some new steroidal thiosemicarbazone derivatives, prepared from the reaction of cholest-5-en-7-one with thiosemicarbazides, in ethanol in the presence of a few drops of HCl at 80 degrees C in high yield. All the compounds have been characterized by means of elemental analyses, IR, H-1 NMR and mass spectroscopic data, to find an effective antibacterial agent. The antibacterial activity 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) of compounds was determined. The results showed that the steroidal thiosemicarbazones derivatives inhibit growth of both types of the bacteria (Gram-positive and Gram-negative). The acetoxy and chloro derivatives of cyclopentyl and cyclohexyl amine thiosemicarbazones were found to have more antibacterial activity than the other derivatives. (C) 2008 Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2007.12.004

文献信息

• Synthesis and in vitro antibacterial activity of new steroidal thiosemicarbazone derivatives
  作者：Salman Ahmad Khan、Praveen Kumar、Rajkumar Joshi、Prince F. Iqbal、Kishwar Saleem

  DOI：10.1016/j.ejmech.2007.12.004

  日期：2008.9

  We investigated the antibacterial activity of some new steroidal thiosemicarbazone derivatives, prepared from the reaction of cholest-5-en-7-one with thiosemicarbazides, in ethanol in the presence of a few drops of HCl at 80 degrees C in high yield. All the compounds have been characterized by means of elemental analyses, IR, H-1 NMR and mass spectroscopic data, to find an effective antibacterial agent. The antibacterial activity 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) of compounds was determined. The results showed that the steroidal thiosemicarbazones derivatives inhibit growth of both types of the bacteria (Gram-positive and Gram-negative). The acetoxy and chloro derivatives of cyclopentyl and cyclohexyl amine thiosemicarbazones were found to have more antibacterial activity than the other derivatives. (C) 2008 Published by Elsevier Masson SAS.