4-Amino-1-((2R,4R)-2-hydroxymethyl-[1,3]dioxolan-4-yl)-1H-[1,3,5]triazin-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 4-Amino-1-((2R,4R)-2-hydroxymethyl-[1,3]dioxolan-4-yl)-1H-[1,3,5]triazin-2-one
• 英文别名: 4-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1,3,5-triazin-2-one
• 化学式: C₇H₁₀N₄O₄
• 分子量: 214.181
• InChiKey: CTXKCMMIADCIJP-RFZPGFLSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 palladium(II) oxide 、 环己烯 、 1,3-丙二醇 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 4-Amino-1-((2R,4R)-2-hydroxymethyl-[1,3]dioxolan-4-yl)-1H-[1,3,5]triazin-2-one
  参考文献：
  名称：

  Synthesis and biological evaluation of l- and d-configuration 1,3-dioxolane 5-azacytosine and 6-azathymine nucleosides

  摘要：

  Novel L- and D-configuration dioxolane 5-azacytosine and 6-azathymine nucleosides have been synthesized and evaluated for biological activity. (-)-(2S,4S)- 1-[2-(Hydroxymethyl)-1,3-dioxolan-4-yl]-5-azacytosine (6) showed significant activity against HBV, whereas the D-configuration analogue (14) has been found to exhibit potent anti-HIV activity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00418-2

文献信息

• Synthesis and biological evaluation of l- and d-configuration 1,3-dioxolane 5-azacytosine and 6-azathymine nucleosides
  作者：Mei-Zhen Luo、Mao-Chin Liu、Diane E Mozdziesz、Tai-Shun Lin、Ginger E Dutschman、Elizabeth A Gullen、Yung-Chi Cheng、Alan C Sartorelli

  DOI：10.1016/s0960-894x(00)00418-2

  日期：2000.9

  Novel L- and D-configuration dioxolane 5-azacytosine and 6-azathymine nucleosides have been synthesized and evaluated for biological activity. (-)-(2S,4S)- 1-[2-(Hydroxymethyl)-1,3-dioxolan-4-yl]-5-azacytosine (6) showed significant activity against HBV, whereas the D-configuration analogue (14) has been found to exhibit potent anti-HIV activity. (C) 2000 Elsevier Science Ltd. All rights reserved.