E-1-benzyl-2-phenyldecahydroquinolin-4(1H)-one oxime | 1469715-68-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: E-1-benzyl-2-phenyldecahydroquinolin-4(1H)-one oxime
• 英文别名: e-1-Benzyl-2-phenyloctahydroquinolin-4-one oxime；(NE)-N-(1-benzyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ylidene)hydroxylamine
• CAS: 1469715-68-1
• 化学式: C₂₂H₂₆N₂O
• 分子量: 334.461
• InChiKey: KMMNQEIDISZUPY-BSYVCWPDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  E-1-benzyl-2-phenyldecahydroquinolin-4(1H)-one oxime 在 氯化亚砜 作用下， 以 乙醚 为溶剂， 反应 1.0h， 以77%的产率得到5-benzyl-4-phenyloctahydro-1H-benzo[b][1,5]diazepin-2(3H)-one
  参考文献：
  名称：

  Synthesis of 5-benzyl-4-aryl-octahydro-1H-benzo[b][1,5]diazepin-2-ones as potent antidepressant and antimicrobial agents

  摘要：

  The present study describes the chemical synthesis and pharmacological evaluation of a new series of 11 compounds of aryloctahydrobenzo[b][1,5]-diazepin-2-one in the forced-swimming test in mice. Three compounds (3e, 3f and 3h) exhibited impressive antidepressant activity, measured in terms of percentage decrease in immobility duration. The potent compounds did not show any neurotoxicity in the rotarod test, and the preliminary results are promising enough to warrant further studies around this scaffold. All the compounds were also screened for antimicrobial activity against P. aeruginosa, E. coli, S. Aureus and B. subtilis strains. Some of the compounds possessed marked antimicrobial activities comparable to that of reference drug, Ciprofloxacin.

  DOI：

  10.1007/s00044-013-0694-1
• 作为产物：
  描述：

  1-benzyl-2-phenyloctahydroquinolin-4(1H)-one 在 盐酸羟胺 、 sodium acetate 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以68%的产率得到E-1-benzyl-2-phenyldecahydroquinolin-4(1H)-one oxime
  参考文献：
  名称：

  Synthesis of 5-benzyl-4-aryl-octahydro-1H-benzo[b][1,5]diazepin-2-ones as potent antidepressant and antimicrobial agents

  摘要：

  The present study describes the chemical synthesis and pharmacological evaluation of a new series of 11 compounds of aryloctahydrobenzo[b][1,5]-diazepin-2-one in the forced-swimming test in mice. Three compounds (3e, 3f and 3h) exhibited impressive antidepressant activity, measured in terms of percentage decrease in immobility duration. The potent compounds did not show any neurotoxicity in the rotarod test, and the preliminary results are promising enough to warrant further studies around this scaffold. All the compounds were also screened for antimicrobial activity against P. aeruginosa, E. coli, S. Aureus and B. subtilis strains. Some of the compounds possessed marked antimicrobial activities comparable to that of reference drug, Ciprofloxacin.

  DOI：

  10.1007/s00044-013-0694-1