3-[3'-(2''-cyclopent-2'''-en-1'''-ylphenoxy)-2'-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione | 1276127-17-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 3-[3'-(2''-cyclopent-2'''-en-1'''-ylphenoxy)-2'-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
• 英文别名: 3-[3'-(2"-cyclopent-2'''-en-1'''-ylphenoxy)-2'-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
• CAS: 1276127-17-3
• 化学式: C₁₉H₂₄N₂O₄
• 分子量: 344.411
• InChiKey: JYUFZFZWZLPIOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.19
• 重原子数：
  25.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  78.87
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  3-(2'-hydroxyphenyl)cyclopent-1-ene 在 吡啶 、 potassium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 16.0h， 生成 3-[3'-(2''-cyclopent-2'''-en-1'''-ylphenoxy)-2'-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
  参考文献：
  名称：

  Analysis of β-amino alcohols as inhibitors of the potential anti-tubercular target N-acetyltransferase

  摘要：

  The synthesis and inhibitory potencies of a novel series of beta-amino alcohols, based on the hit-compound 3-[3`-(4 ''-cyclopent-2```-en-1```-ylphenoxy)-2`-hydroxypropyl]-5,5 dimethylimidazolidine-2,4-dione as specific inhibitors of mycobacterial N-acetyltransferase (NAT) enzymes are reported. Effects of synthesised compounds on growth of Mycobacterium tuberculosis have been determined. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.099