4-(tetrazol-1-yl)-1-(3',5'-di-O-acetyl-2'-O-methyl-β-D-ribofuranosyl)pyrimidin-2-(1H)-one | 1085342-81-9

• 分子结构分类: 有机化合物
• 英文名称: 4-(tetrazol-1-yl)-1-(3',5'-di-O-acetyl-2'-O-methyl-β-D-ribofuranosyl)pyrimidin-2-(1H)-one
• CAS: 1085342-81-9
• 化学式: C₁₅H₁₈N₆O₇
• 分子量: 394.344
• InChiKey: WUKJFZSBUCXMQD-FMKGYKFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.37
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  149.55
• 氢给体数：
  0.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  4-(tetrazol-1-yl)-1-(3',5'-di-O-acetyl-2'-O-methyl-β-D-ribofuranosyl)pyrimidin-2-(1H)-one 在 氢氧化钾 、 氯化铵 、 三乙胺 作用下， 以 水 、 乙腈 为溶剂， 反应 24.0h， 以95%的产率得到3',5'-di-O-acetyl-2'-O-methylcytidine
  参考文献：
  名称：

  Synthesis and solution conformation studies of the modified nucleoside N4,2′-O-dimethylcytidine (m4Cm) and its analogues

  摘要：

  The dimethylated ribosomal nucleoside m(4)Cm and its monomethylated analogues Cm and m(4)C were synthesized. The conformations (syn vs anti) of the three modified nucleosides and cytidine were determined by CD and 1D NOE difference spectroscopy. The ribose sugar puckers were determined by the use of proton coupling constants. The position of modi. cation (e. g., O vs N methylation) was found to have an effect on the sugar pucker of cytidine. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.09.016
• 作为产物：
  描述：

  四氮唑 、 3',5'-di-O-acetyl-2'-O-methyluridine 在 吡啶 、 磷酸二苯酯 、 对甲苯磺酰氯 作用下， 反应 36.0h， 以95%的产率得到4-(tetrazol-1-yl)-1-(3',5'-di-O-acetyl-2'-O-methyl-β-D-ribofuranosyl)pyrimidin-2-(1H)-one
  参考文献：
  名称：

  Synthesis and solution conformation studies of the modified nucleoside N4,2′-O-dimethylcytidine (m4Cm) and its analogues

  摘要：

  The dimethylated ribosomal nucleoside m(4)Cm and its monomethylated analogues Cm and m(4)C were synthesized. The conformations (syn vs anti) of the three modified nucleosides and cytidine were determined by CD and 1D NOE difference spectroscopy. The ribose sugar puckers were determined by the use of proton coupling constants. The position of modi. cation (e. g., O vs N methylation) was found to have an effect on the sugar pucker of cytidine. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.09.016