benzo[g]-5α-cholestan[3,2-b]quinoline | 1412416-80-8

• 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: benzo[g]-5α-cholestan[3,2-b]quinoline
• 英文别名: (3S,4S,7R,8R,11S,12R,15S)-3,7-dimethyl-8-[(2R)-6-methylheptan-2-yl]-18-azaheptacyclo[15.12.0.03,15.04,12.07,11.019,28.021,26]nonacosa-1(29),17,19,21,23,25,27-heptaene
• CAS: 1412416-80-8
• 化学式: C₃₈H₅₁N
• 分子量: 521.83
• InChiKey: NOKWHLWQUHOSKO-QGNVLJOCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  5-Alpha-胆甾烷-3-酮 在 三溴化磷 作用下， 140.0 ℃ 、2.1 MPa 条件下， 反应 0.25h， 生成 benzo[g]-5α-cholestan[3,2-b]quinoline
  参考文献：
  名称：

  A microwave promoted solvent-free approach to steroidal quinolines and their in vitro evaluation for antimicrobial activities

  摘要：

  The preparation of A-ring and D-ring fused steroidal quinolines is described from one-pot reaction of steroidal beta-bromovinylaldehydes and arylamines in solvent-free and catalyst-free condition under microwave irradiation. The antimicrobial activities of the compounds were tested by agar diffusion assay and broth macro dilution method. Compounds 7a, 7e and 7g-h showed promising in vitro activity when tested against fungal pathogen Aspergillus niger whereas compounds 7e-h and 7j showed promising activity when tested against fungal pathogen Candida albicans. Compounds 7c and 7f showed potent inhibition against the growth of Gram negative bacteria Pseudomonas aeruginosa and compounds 7e, 7g-h and 7j inhibited the growth of tested Gram positive bacteria Bacillus subtilis and Staphylococcus aureus. (C) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2012.08.008