{1-aminomethyl-2-[4-(4-methoxybenzyloxy)-quinolin-2-ylamino]ethyl}carbamic acid tert-butyl ester | 1122410-63-2

• 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: {1-aminomethyl-2-[4-(4-methoxybenzyloxy)-quinolin-2-ylamino]ethyl}carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[1-amino-3-[[4-[(4-methoxyphenyl)methoxy]quinolin-2-yl]amino]propan-2-yl]carbamate
• CAS: 1122410-63-2
• 化学式: C₂₅H₃₂N₄O₄
• 分子量: 452.553
• InChiKey: ABXPCRKAZSMTBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  {1-aminomethyl-2-[4-(4-methoxybenzyloxy)-quinolin-2-ylamino]ethyl}carbamic acid tert-butyl ester 在 10% Pd/C 、 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 1.0h， 以100%的产率得到tert-butyl N-[1-amino-3-[(4-oxo-1H-quinolin-2-yl)amino]propan-2-yl]carbamate
  参考文献：
  名称：

  2-[2-Substituted-3-(3,4-dichlorobenzylamino)propylamino]-1H-quinolin-4-ones as Staphylococcus aureus methionyl-tRNA synthetase inhibitors

  摘要：

  New analogues of 2-[2-substituted-3-(3,4-dichlorobenzylamino)propylamino]quinolin-4-ones, 26a, 26b, 31a-e, 34, 35, 38 and 40, have been synthesized and evaluated against Staphylococcus aureus methionyl-tRNA synthetase. All of the synthesized compounds were less active than the reference compound 2. The compounds were also screened against various strains of S. aureus and Enterococci for their antibacterial activities. Among the compounds, 26b, 31c and 31e displayed significant inhibitory properties against various strains of Enterococci compared to compound 2. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.02.021
• 作为产物：
  描述：

  2-甲基-2-丙基(1,3-二氨基-2-丙基)氨基甲酸酯 、 2-氯-4-(4-甲氧基苄氧基)喹啉 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 48.0h， 以46%的产率得到{1-aminomethyl-2-[4-(4-methoxybenzyloxy)-quinolin-2-ylamino]ethyl}carbamic acid tert-butyl ester
  参考文献：
  名称：

  2-[2-Substituted-3-(3,4-dichlorobenzylamino)propylamino]-1H-quinolin-4-ones as Staphylococcus aureus methionyl-tRNA synthetase inhibitors

  摘要：

  New analogues of 2-[2-substituted-3-(3,4-dichlorobenzylamino)propylamino]quinolin-4-ones, 26a, 26b, 31a-e, 34, 35, 38 and 40, have been synthesized and evaluated against Staphylococcus aureus methionyl-tRNA synthetase. All of the synthesized compounds were less active than the reference compound 2. The compounds were also screened against various strains of S. aureus and Enterococci for their antibacterial activities. Among the compounds, 26b, 31c and 31e displayed significant inhibitory properties against various strains of Enterococci compared to compound 2. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.02.021