[2,2-Dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)propyl] nitrate | 1075203-61-0

• 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: [2,2-Dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)propyl] nitrate
• CAS: 1075203-61-0
• 化学式: C₁₅H₂₁N₃O₄
• 分子量: 307.349
• InChiKey: XFUZSWQPCTYCKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  78.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-苯基哌嗪 、 以 二氯甲烷 为溶剂， 反应 24.0h， 以92%的产率得到[2,2-Dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)propyl] nitrate
  参考文献：
  名称：

  NO-donors. Part 171: Synthesis and antimicrobial activity of novel ketoconazole–NO-donor hybrid compounds

  摘要：

  Novel hybrid compounds combining the antifungal drug ketoconazole with a diazen-1-ium-1,2-diolate or an organic nitrate moiety and the corresponding NO-donors without ketoconazole were synthesized and their activities against a broad variety of fungal strains were tested. Hybridization modifies the spectrum of antimicrobial activities and generally, the ketoconazole-NO-donor hybrids are more potent than ketoconazole. The NO-donors alone show insufficient effectiveness. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.05.008