6-hydroxy-1-(2-hydroxyethyl)-4-oxo-1,4-dihydro[1,7]phenanthroline-3-carboxylic acid [4-(2-cyano-4-nitrophenylsulfamoyl)phenyl]amide | 1258978-01-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: 6-hydroxy-1-(2-hydroxyethyl)-4-oxo-1,4-dihydro[1,7]phenanthroline-3-carboxylic acid [4-(2-cyano-4-nitrophenylsulfamoyl)phenyl]amide
• 英文别名: N-[4-[(2-cyano-4-nitrophenyl)sulfamoyl]phenyl]-6-hydroxy-1-(2-hydroxyethyl)-4-oxo-1,7-phenanthroline-3-carboxamide
• CAS: 1258978-01-6
• 化学式: C₂₈H₂₀N₆O₈S
• 分子量: 600.568
• InChiKey: RWTKYZADKPACHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  227
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  4-amino-N-(2-cyano-4-nitrophenyl)benzenesulfonamide 、 6-hydroxy-1-(2-hydroxyethyl)-4-oxo-1,4-dihydro[1,7]phenanthroline-3-carbonyl chloride 在 吡啶 作用下， 反应 9.5h， 以65%的产率得到6-hydroxy-1-(2-hydroxyethyl)-4-oxo-1,4-dihydro[1,7]phenanthroline-3-carboxylic acid [4-(2-cyano-4-nitrophenylsulfamoyl)phenyl]amide
  参考文献：
  名称：

  Synthesis and in vitro microbial activities of amides of pyridoquinolone

  摘要：

  In this study, we report the antimicrobial evaluation of newly synthesized amides of pyridoquinolones from substituted aniline, substituted phenyl thioureas and 4-amino-N-(substitutedphenyl)benzenesulfonamide. Structures of selected compounds have been established by IR and H-1 NMR spectra and elemental analysis. The structure-activity releationships have been studied by screening of antimicrobial activity over S. aureus, B. subtilis, E. coli, P. aeruginosa, and C. albicans using cup-plate method.

  DOI：

  10.1007/s00044-010-9443-x

文献信息

• Synthesis and in vitro microbial activities of amides of pyridoquinolone
  作者：Navin B. Patel、Sarvil D. Patel、Hiren I. Chauhan

  DOI：10.1007/s00044-010-9443-x

  日期：2011.9

  In this study, we report the antimicrobial evaluation of newly synthesized amides of pyridoquinolones from substituted aniline, substituted phenyl thioureas and 4-amino-N-(substitutedphenyl)benzenesulfonamide. Structures of selected compounds have been established by IR and H-1 NMR spectra and elemental analysis. The structure-activity releationships have been studied by screening of antimicrobial activity over S. aureus, B. subtilis, E. coli, P. aeruginosa, and C. albicans using cup-plate method.