4-[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-oxo-2H-chromen-4-yloxy)-[1,3,5]triazin-2-ylamino]-2-trifluoromethylbenzonitrile | 1326231-49-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-oxo-2H-chromen-4-yloxy)-[1,3,5]triazin-2-ylamino]-2-trifluoromethylbenzonitrile
• 英文别名: 4-[[4-[4-(4-Fluorophenyl)piperazin-1-yl]-6-(2-oxochromen-4-yl)oxy-1,3,5-triazin-2-yl]amino]-2-(trifluoromethyl)benzonitrile
• CAS: 1326231-49-5
• 化学式: C₃₀H₂₁F₄N₇O₃
• 分子量: 603.535
• InChiKey: FHEGIIXHYOLKCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  44
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  117
• 氢给体数：
  1
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  4-氨基-2-三氟甲基苯甲腈 在 sodium hydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 mineral oil 为溶剂， 反应 17.0h， 生成 4-[4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-oxo-2H-chromen-4-yloxy)-[1,3,5]triazin-2-ylamino]-2-trifluoromethylbenzonitrile
  参考文献：
  名称：

  Synthesis, characterization and pharmacological activities of 2-[4-cyano-(3-trifluoromethyl)phenyl amino)]-4-(4-quinoline/coumarin-4-yloxy)-6-(fluoropiperazinyl)-s-triazines

  摘要：

  A series of 2[4-cyano-(3-trifluoromethyl)phenyl amino)]-4-(4-quinoline/coumarin-4-yloxy)-6-(fluoropiperazinyl)-s-triazines has been synthesized by a simple and efficient synthetic protocol. The antimicrobial activity of the compounds was studied against several bacteria (Staphylococcus aureus MTCC 96, Bacillus cereus MTCC 619, Escherichia coli MTCC 739, Pseudomonas aeruginosa MTCC 741, Klebsiella pneumoniae MTCC 109, Salmonella typhi MTCC 733, Proteus vulgaris MTCC 1771, Shigella flexneria MTCC 1457) and fungi (Aspergillus niger MTCC 282, Aspergillus fumigatus MTCC 343, Aspergillus clavatus MTCC 1323, Candida albicans MTCC 183) using paper disc diffusion technique and agar streak dilution method. Newly synthesized compounds were also tested for their in vitro antimycobacterial activity against Mycobacterium tuberculosis H37Rv using BACTEC MGIT and Lowenstein-Jensen MIC method. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2011.06.021

文献信息

• Synthesis, characterization and pharmacological activities of 2-[4-cyano-(3-trifluoromethyl)phenyl amino)]-4-(4-quinoline/coumarin-4-yloxy)-6-(fluoropiperazinyl)-s-triazines
  作者：Rahul V. Patel、Premlata Kumari、Dhanji. P. Rajani、Kishor H. Chikhalia

  DOI：10.1016/j.jfluchem.2011.06.021

  日期：2011.9

  A series of 2[4-cyano-(3-trifluoromethyl)phenyl amino)]-4-(4-quinoline/coumarin-4-yloxy)-6-(fluoropiperazinyl)-s-triazines has been synthesized by a simple and efficient synthetic protocol. The antimicrobial activity of the compounds was studied against several bacteria (Staphylococcus aureus MTCC 96, Bacillus cereus MTCC 619, Escherichia coli MTCC 739, Pseudomonas aeruginosa MTCC 741, Klebsiella pneumoniae MTCC 109, Salmonella typhi MTCC 733, Proteus vulgaris MTCC 1771, Shigella flexneria MTCC 1457) and fungi (Aspergillus niger MTCC 282, Aspergillus fumigatus MTCC 343, Aspergillus clavatus MTCC 1323, Candida albicans MTCC 183) using paper disc diffusion technique and agar streak dilution method. Newly synthesized compounds were also tested for their in vitro antimycobacterial activity against Mycobacterium tuberculosis H37Rv using BACTEC MGIT and Lowenstein-Jensen MIC method. (C) 2011 Elsevier B.V. All rights reserved.