N-[3-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-oxoheptanamide | 303180-38-3

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: N-[3-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-oxoheptanamide
• CAS: 303180-38-3
• 化学式: C₁₉H₂₅N₃O₈
• 分子量: 423.423
• InChiKey: PVIONOKBXFFYSB-GFOCRRMGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.5
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  166
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5-[3-[(2-Aminooxyacetyl)amino]propylcarbamothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid 、 N-[3-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-oxoheptanamide 以 水 、 乙腈 为溶剂， 反应 2.0h， 以81%的产率得到
  参考文献：
  名称：

  Synthesis of Methylketone Containing Nucleoside Triphosphates for RNA Labelling

  摘要：

  The three nucleoside triphosphates 1, 2 and 3 bearing a linker with a terminal methylketone group were prepared for incorporation into RNA fragments and post-labelling by the fluorescein derivative 4 containing an aminooxy group. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00577-9
• 作为产物：
  描述：

  5-iodo-2',3'-O isopropylidene-uridine 在 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 生成 N-[3-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-6-oxoheptanamide
  参考文献：
  名称：

  Synthesis of Methylketone Containing Nucleoside Triphosphates for RNA Labelling

  摘要：

  The three nucleoside triphosphates 1, 2 and 3 bearing a linker with a terminal methylketone group were prepared for incorporation into RNA fragments and post-labelling by the fluorescein derivative 4 containing an aminooxy group. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00577-9

文献信息

• Synthesis of Methylketone Containing Nucleoside Triphosphates for RNA Labelling
  作者：Emmanuelle Trévisiol、Eric Defrancq、Jean Lhomme、Ali Laayoun、Philippe Cros

  DOI：10.1016/s0040-4020(00)00577-9

  日期：2000.8

  The three nucleoside triphosphates 1, 2 and 3 bearing a linker with a terminal methylketone group were prepared for incorporation into RNA fragments and post-labelling by the fluorescein derivative 4 containing an aminooxy group. (C) 2000 Elsevier Science Ltd. All rights reserved.