1-(2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylmethyl)-pyridinium; chloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-(2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylmethyl)-pyridinium; chloride
• 英文别名: 6-oxo-4-(pyridin-1-ium-1-ylmethyl)-1H-pyrimidin-2-olate;hydrochloride
• 化学式: C₁₀H₁₀N₃O₂*Cl
• 分子量: 239.661
• InChiKey: PTKYPCVYQATFCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  62.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-(氯甲基)脲嘧啶 、 吡啶 反应 12.0h， 以40%的产率得到1-(2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylmethyl)-pyridinium; chloride
  参考文献：
  名称：

  Synthesis and enzymatic evaluation of pyridinium-Substituted uracil derivatives as novel inhibitors of thymidine phosphorylase

  摘要：

  A series of water soluble N(1)- and C(6)-substituted uracil pyridinium compounds were prepared as potential inhibitors of thymidine phosphorylase (TP). The C(6)-uracil substituted derivatives were the most active. 1-[(5-Chloro-2,4-dihydroxy-pyrimidin-6-yl)methyl]pyridinium chloride, was identified as the best inhibitor being 5-fold more potent than the known inhibitor, 6-amino-5-bromouracil. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00309-1

文献信息

• BARTELS-KEITH, JAMES R.;PUTTICK, ANTHONY J.;TAYLOR, LLOYD D.
  作者：BARTELS-KEITH, JAMES R.、PUTTICK, ANTHONY J.、TAYLOR, LLOYD D.

  DOI：——

  日期：——
• Synthesis and enzymatic evaluation of pyridinium-Substituted uracil derivatives as novel inhibitors of thymidine phosphorylase
  作者：Paul E Murray、Virginia A McNally、Stacey D Lockyer、Kaye J Williams、Ian J Stratford、Mohammed Jaffar、Sally Freeman

  DOI：10.1016/s0968-0896(01)00309-1

  日期：2002.3

  A series of water soluble N(1)- and C(6)-substituted uracil pyridinium compounds were prepared as potential inhibitors of thymidine phosphorylase (TP). The C(6)-uracil substituted derivatives were the most active. 1-[(5-Chloro-2,4-dihydroxy-pyrimidin-6-yl)methyl]pyridinium chloride, was identified as the best inhibitor being 5-fold more potent than the known inhibitor, 6-amino-5-bromouracil. (C) 2002 Elsevier Science Ltd. All rights reserved.