1-(tetrahydro-2H-pyran-2-yl)thymine | 5000-35-1

• 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-(tetrahydro-2H-pyran-2-yl)thymine
• 英文别名: 5-Methyl-1-(tetrahydropyranyl-(2))-uracil；3-(Tetrahydro-2-pyranyl)-thymin；1-(Tetrahydro-2-pyranyl)-thymin；1-(Tetrahydropyran-2-yl)thymin；5-methyl-1-tetrahydropyran-2-yl-1H-pyrimidine-2,4-dione；5-Methyl-1-(tetrahydro-2h-pyran-2-yl)pyrimidine-2,4(1h,3h)-dione；5-methyl-1-(oxan-2-yl)pyrimidine-2,4-dione
• CAS: 5000-35-1
• 化学式: C₁₀H₁₄N₂O₃
• 分子量: 210.233
• InChiKey: RORMWPFRHIFJPV-UHFFFAOYSA-N

物化性质

• 密度：
  1.244±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  三苯甲基-(S)-缩水甘油醚 、 1-(tetrahydro-2H-pyran-2-yl)thymine 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-((S)-2-hydroxy-3-(trityloxy)propyl)-5-methyl-1-(tetrahydro-2H-pyran-2-yl)pyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  Syntheses of N3-substituted thymine acyclic nucleoside phosphonates and a comparison of their inhibitory effect towards thymidine phosphorylase

  摘要：

  A series of N-3-substituted thymine acyclic nucleoside phosphonates bearing a number of ( phosphonomethoxy) alkyl groups were synthesized and investigated for their ability to inhibit the human thymidine phosphorylase expressed in V79 Chinese hamster cells, as well as thymidine phosphorylase from SD-lymphoma, Escherichia coli and human placenta. In comparison to N-1- substituted analogues which possess a considerable inhibitory activity towards thymidine phosphorylase from SD-lymphoma, the results showed a marginal inhibitory effect of these compounds. None of the presented N-3-substituted derivatives possess a significant cytostatic activity. (c) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2008.01.006