[(2R,3S,4R,5R)-3-[[(2S,3S,4R,5R)-3-[[(2R)-3-amino-2-methylpropanoyl]amino]-5-[6-(dimethylamino)purin-9-yl]-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate | 1152731-68-4

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - （3'->5'）-二核苷酸和类似物
• 英文名称: [(2R,3S,4R,5R)-3-[[(2S,3S,4R,5R)-3-[[(2R)-3-amino-2-methylpropanoyl]amino]-5-[6-(dimethylamino)purin-9-yl]-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
• CAS: 1152731-68-4
• 化学式: C₃₄H₄₉N₁₃O₁₈P₂
• 分子量: 989.787
• InChiKey: SPCJLYYBAYLIIP-FGDJMIIXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.4
• 重原子数：
  67
• 可旋转键数：
  18
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  440
• 氢给体数：
  10
• 氢受体数：
  23

反应信息

• 作为产物：
  描述：

  、 在 三氯乙酸 、 四氮唑 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 0.25h， 以44%的产率得到[(2R,3S,4R,5R)-3-[[(2S,3S,4R,5R)-3-[[(2R)-3-amino-2-methylpropanoyl]amino]-5-[6-(dimethylamino)purin-9-yl]-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
  参考文献：
  名称：

  Synthesis of puromycin derivatives with backbone-elongated substrates and associated translation inhibitory activities

  摘要：

  We have synthesized a series of 5'-phosphorylated and 5'-cytidylyl-(3'-5')-cytidylyl-(3'-5')-puromycin derivatives that have backbone-elongated substrates. All the synthesized puromycin derivatives showed good solubility in water and were applied to translation inhibitory assay in a reconstituted Escherichia coli translation system. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.02.006