1-[(2R,4S,5R)-4-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-prop-2-ynyloxolan-2-yl]-5-methylpyrimidine-2,4-dione | 1350443-42-3

• 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-[(2R,4S,5R)-4-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-prop-2-ynyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
• CAS: 1350443-42-3
• 化学式: C₉₆H₁₀₅N₃₇O₂₅
• 分子量: 2177.12
• InChiKey: RSXFWPJMYGIWJQ-UZYYXVKPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 重原子数：
  158
• 可旋转键数：
  30
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  732
• 氢给体数：
  9
• 氢受体数：
  39

反应信息

• 作为产物：
  描述：

  、 、 在 copper(I) bromide dimethylsulfide complex 作用下， 以 1,4-二氧六环 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 以23%的产率得到1-[(2R,4S,5R)-4-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-[4-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-1-yl]-5-prop-2-ynyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
  参考文献：
  名称：

  三唑连接的DNA作为第一链cDNA合成中的引物替代品

  摘要：

  磷酸消除的非天然寡核苷酸可作为mRNA逆转录反应中的引物替代物。尽管在替代物中存在非天然三唑键，但逆转录酶通过转录mRNA的互补序列有效地延长了引物3'下游的cDNA序列。与参考天然寡核苷酸的结构活性比较表明，含有三唑键的替代物具有更好的引发活性。非天然连接还可以保护转录的cDNA免于与5'-核酸外切酶的消化反应，并使我们能够去除未知来源的噪音转录本。

  DOI：

  10.1002/asia.201100712