1-[5-(3-methylphenoxy)pentyl]uracil | 1445849-39-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-[5-(3-methylphenoxy)pentyl]uracil
• 英文别名: 1-[5-(3-Methylphenoxy)pentyl]pyrimidine-2,4-dione；1-[5-(3-methylphenoxy)pentyl]pyrimidine-2,4-dione
• CAS: 1445849-39-7
• 化学式: C₁₆H₂₀N₂O₃
• 分子量: 288.346
• InChiKey: MDSGQKHIYMLVQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-((5-Bromopentyl)oxy)-3-methylbenzene 、 2,4-二(三甲硅氧基)嘧啶 以 neat (no solvent) 为溶剂， 反应 1.0h， 生成 1-[5-(3-methylphenoxy)pentyl]uracil
  参考文献：
  名称：

  Synthesis and anti-HCMV activity of 1-[ω-(phenoxy)alkyl]uracil derivatives and analogues thereof

  摘要：

  HCMV infection represents a life-threatening condition for immunocompromised patients and newborn infants and novel anti-HCMV agents are clearly needed. In this regard, a series of 1-[omega-(phenoxy)alkyl]uracil derivatives were synthesized and examined for antiviral properties. Compounds 17, 20, 24 and 28 were found to exhibit highly specific and promising inhibitory activity against HCMV replication in HEL cell cultures with EC50 values within 5.5-12 mu M range. Further studies should be undertaken to elucidate the mechanism of action of these compounds and the structure-activity relationship for the linker region. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.05.009

文献信息

• Synthesis and anti-HCMV activity of 1-[ω-(phenoxy)alkyl]uracil derivatives and analogues thereof
  作者：Mikhail S. Novikov、Denis A. Babkov、Maria P. Paramonova、Anastasia L. Khandazhinskaya、Alexander A. Ozerov、Alexander O. Chizhov、Graciela Andrei、Robert Snoeck、Jan Balzarini、Katherine L. Seley-Radtke

  DOI：10.1016/j.bmc.2013.05.009

  日期：2013.7

  HCMV infection represents a life-threatening condition for immunocompromised patients and newborn infants and novel anti-HCMV agents are clearly needed. In this regard, a series of 1-[omega-(phenoxy)alkyl]uracil derivatives were synthesized and examined for antiviral properties. Compounds 17, 20, 24 and 28 were found to exhibit highly specific and promising inhibitory activity against HCMV replication in HEL cell cultures with EC50 values within 5.5-12 mu M range. Further studies should be undertaken to elucidate the mechanism of action of these compounds and the structure-activity relationship for the linker region. (C) 2013 Elsevier Ltd. All rights reserved.