(E)-3-(1-{(2R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[(2-cyano-ethoxy)-diisopropylamino-phosphanyloxy]-tetrahydro-furan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acrylic acid methyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (E)-3-(1-{(2R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[(2-cyano-ethoxy)-diisopropylamino-phosphanyloxy]-tetrahydro-furan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acrylic acid methyl ester
• 英文别名: methyl (E)-3-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoate
• 化学式: C₄₃H₅₁N₄O₁₀P
• 分子量: 814.872
• InChiKey: LLJQMTRJAZHOME-JCETUXNQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  58
• 可旋转键数：
  20
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  158
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  1H-1,2,4-三唑 、 (E)-3-(1-{(2R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[(2-cyano-ethoxy)-diisopropylamino-phosphanyloxy]-tetrahydro-furan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acrylic acid methyl ester 在 三乙胺 、 三氯氧磷 作用下， 以 乙腈 为溶剂， 反应 2.08h， 生成 (E)-3-(1-{(2R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-[(2-cyano-ethoxy)-diisopropylamino-phosphanyloxy]-tetrahydro-furan-2-yl}-2-oxo-4-[1,2,4]triazol-1-yl-1,2-dihydro-pyrimidin-5-yl)-acrylic acid methyl ester
  参考文献：
  名称：

  Highly Selective and Sensitive Template-Directed Photoligation of DNA via 5-Carbamoylvinyl-2‘-deoxycytidine

  摘要：

  We describe a highly efficient template-directed photoligation of oligodeoxynucleotides (ODNs) through 5-carbamoylvinyl-2'-deoxycytidine (C-CV). When an ODN containing C-CV at the 5' end was photoirradiated with an ODN containing a pyrimidine base at the 3' end in the presence of template DNA, efficient photoligation was observed without any byproduct formation. Single nucleotide differences can be successfully distinguished by using photoligation-based DNA chip assay.

  DOI：

  10.1021/ol0619462