6-amino-4-(3-chlorophenyl)-1-((1,3-diphenyl-1H-pyrazole-4-yl)methyleneamino)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile | 1431621-21-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 6-amino-4-(3-chlorophenyl)-1-((1,3-diphenyl-1H-pyrazole-4-yl)methyleneamino)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile
• 英文别名: 2-amino-4-(3-chlorophenyl)-1-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-6-oxopyridine-3,5-dicarbonitrile
• CAS: 1431621-21-4
• 化学式: C₂₉H₁₈ClN₇O
• 分子量: 515.961
• InChiKey: QXRHQRVPWPYSHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.23
• 重原子数：
  38.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  125.78
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  1,3-二苯-1H-吡唑-4-甲醛 在 哌啶 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 4.0h， 生成 6-amino-4-(3-chlorophenyl)-1-((1,3-diphenyl-1H-pyrazole-4-yl)methyleneamino)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile
  参考文献：
  名称：

  Synthesis of pyrazole encompassing 2-pyridone derivatives as antibacterial agents

  摘要：

  A series of novel compounds 6-amino-1-((1,3-diphenyl-1H-pyrazole-4-yl) methyleneamino)-4-(aryl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitriles (4a-t) were synthesized and characterized by IR, H-1 NMR, C-13 NMR and mass spectral data. These compounds were screened for their in vitro antibacterial activity against Staphylococcus aureus, Streptococcus pyogenes (Gram positive), Escherichia coli, Pseudomonas aeruginosa (Gram negative) by serial broth dilution and cytotoxic activity (NIH 3T3 & HeLa) by MTT assay. The results indicated that compounds 4g, 4i, 4m, 4o, 4r and 4t exhibit potent antibacterial activity against bacterial strains at non-cytotoxic concentrations. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.077