2-amino-9-[2-methoxy-4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-1H-purin-6-one | 1000417-93-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-amino-9-[2-methoxy-4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-1H-purin-6-one
• 英文别名: 2-amino-9-[2-methoxy-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1H-purin-6-one
• CAS: 1000417-93-5
• 化学式: C₁₈H₂₂N₆O₄S
• 分子量: 418.476
• InChiKey: AYUTTXAEMSHUNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  140
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(2-amino-4-((2-methoxy-4-((4-methylpiperidin-1-yl)sulfonyl)phenyl)amino)-6-oxo-1,6-dihydropyrimidin-5-yl)formamide 在 溶剂黄146 作用下， 以 二乙二醇 为溶剂， 以0.35 g的产率得到2-amino-9-[2-methoxy-4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-1H-purin-6-one
  参考文献：
  名称：

  Synthesis and antimicrobial evaluation of guanylsulfonamides

  摘要：

  A series of guanylsulfonamides, 2-amino-9-[2-substituted-4-(4-substituted piperidin-1-sulfonyl) phenyl]-1,9-dihydropurin-6- ones, was synthesized by adopting reductive aminoformylation of 2-amino-5-nitro-6-[4-(piperidin-1-sulfonyl) phenylamino]-3H-pyrimidin-4-one and subsequent intramolecular ring condensation as key steps. All the guanylsulfonamides were assayed for their in vitro antibacterial activities against Klebsiella pneumoniae, Escherichia coli, Pseudomonas aeruginosa, Bacillus subtilis, Staphylococcus aureus, and Streptococcus faecalis, and their antifungal activities against Aspergillus flavus, Aspergillus niger, and Candida albicans. Of the guanylsulfonamides, 13e and 13f displayed better antibacterial activities than that of Norfloxacin against the bacterial strains S. aureus and S. faecalis except 13f against S. faecalis, which exhibited the activity similar to that of Norfloxacin. Against the fungal strains A. flavus and A. niger, 13g and 13h showed similar activities to that of Griseoflavin-16 except 13h against A. niger, which displayed a profound drop in the activity compared to that of Griseoflavin-16. The remarkable inhibition of the growth of the bacterial and fungal strains makes these substances promising microbial agents. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.060