benzyl (2S)-2-[[[(1S,3R,4S,7R)-7-hydroxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-phenoxyphosphoryl]amino]propanoate | 936616-59-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: benzyl (2S)-2-[[[(1S,3R,4S,7R)-7-hydroxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-phenoxyphosphoryl]amino]propanoate
• CAS: 936616-59-0
• 化学式: C₂₇H₃₀N₃O₁₀P
• 分子量: 587.523
• InChiKey: IDTHYEMBLFGMRO-GWNHJHJUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  41
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  162
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  phenyl(benzyloxy-L-alaninyl)phosphorochloridate 、 (1S,3R,4S,7R)-7-hydroxy-1-(hydroxymethyl)-3-(thymin-1-yl)-2,5-dioxabicyclo[2.2.1]heptane 在 吡啶 、 叔丁基氯化镁 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 48.0h， 生成 benzyl (2S)-2-[[[(1S,3R,4S,7R)-7-hydroxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-phenoxyphosphoryl]amino]propanoate
  参考文献：
  名称：

  Synthesis and Biological Evaluation of LNA Phosphoramidates

  摘要：

  The synthesis of LNA phosphoramidates is presented. The LNA phosphoramidates were evaluated for their ability to inhibit cell proliferation of the human prostate cancer cell line 15PC3. A number of the LNA phosphoramidates showed cell proliferation inhibition determined by the MTS assay.

  DOI：

  10.1080/15257770701571834

文献信息

• Synthesis and Biological Evaluation of LNA Phosphoramidates
  作者：Jacob Jensen、Gitte Sjøgren、Jens Bo Hansen、Christoph Rosenbohm、Troels Koch

  DOI：10.1080/15257770701571834

  日期：2008.1

  The synthesis of LNA phosphoramidates is presented. The LNA phosphoramidates were evaluated for their ability to inhibit cell proliferation of the human prostate cancer cell line 15PC3. A number of the LNA phosphoramidates showed cell proliferation inhibition determined by the MTS assay.