ethyl (1-{[3-(2-tert-butoxy-2-oxoethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]methyl}-2-{[6-{[1-(2-ethoxy-2-oxoethyl)-2-{[6-{[1-(2-ethoxy-2-oxoethyl)-2-{[6-{[1-(2-ethoxy-2-oxoethyl)hydrazinyl]methyl}-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetyl}hydrazinyl]methyl}-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetyl}hydrazinyl]methyl}-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetyl}hydrazinyl)acetate | 1328885-80-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl (1-{[3-(2-tert-butoxy-2-oxoethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]methyl}-2-{[6-{[1-(2-ethoxy-2-oxoethyl)-2-{[6-{[1-(2-ethoxy-2-oxoethyl)-2-{[6-{[1-(2-ethoxy-2-oxoethyl)hydrazinyl]methyl}-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetyl}hydrazinyl]methyl}-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetyl}hydrazinyl]methyl}-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetyl}hydrazinyl)acetate
• 英文别名: Tert-butyl 2-[6-[[[[2-[6-[[[[2-[6-[[[[2-[6-[[amino-(2-ethoxy-2-oxoethyl)amino]methyl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-(2-ethoxy-2-oxoethyl)amino]methyl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-(2-ethoxy-2-oxoethyl)amino]methyl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-(2-ethoxy-2-oxoethyl)amino]methyl]-2,4-dioxopyrimidin-1-yl]acetate；tert-butyl 2-[6-[[[[2-[6-[[[[2-[6-[[[[2-[6-[[amino-(2-ethoxy-2-oxoethyl)amino]methyl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-(2-ethoxy-2-oxoethyl)amino]methyl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-(2-ethoxy-2-oxoethyl)amino]methyl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-(2-ethoxy-2-oxoethyl)amino]methyl]-2,4-dioxopyrimidin-1-yl]acetate
• CAS: 1328885-80-8
• 化学式: C₄₈H₆₆N₁₆O₂₁
• 分子量: 1203.15
• InChiKey: VAIDXVUVPRRAJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.5
• 重原子数：
  85
• 可旋转键数：
  37
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  455
• 氢给体数：
  8
• 氢受体数：
  26

反应信息

• 作为产物：
  描述：

  (9H-fluoren-9-yl)methyl 2-[(3-{2-[2-{[3-(2-{2-[(3-{2-[2-{[3-(2-tert-butoxy-2-oxoethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]methyl}-2-(2-ethoxy-2-oxoethyl)hydrazinyl]-2-oxoethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-2-(2-ethoxy-2-oxoethyl)hydrazinyl}-2-oxoethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]methyl}-2-(2-ethoxy-2-oxoethyl)hydrazinyl]-2-oxoethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-2-(2-ethoxy-2-oxoethyl)hydrazinecarboxylate 在 哌啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以64%的产率得到ethyl (1-{[3-(2-tert-butoxy-2-oxoethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]methyl}-2-{[6-{[1-(2-ethoxy-2-oxoethyl)-2-{[6-{[1-(2-ethoxy-2-oxoethyl)-2-{[6-{[1-(2-ethoxy-2-oxoethyl)hydrazinyl]methyl}-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetyl}hydrazinyl]methyl}-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetyl}hydrazinyl]methyl}-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetyl}hydrazinyl)acetate
  参考文献：
  名称：

  具有整合的碱基和骨干的寡核苷酸类似物。第28章

  摘要：

  受保护的酰肼联尿嘧啶和腺嘌呤衍生tetranucleoside类似物17,19和21在溶液中，通过偶合二聚体肼合成6和10与羧酸7,11，和16。这些肼和酸被部分地脱保护的肼得到的5,9，和15，将它们通过偶合肼制备3和14与羧酸4和8。完全保护的UU二聚体5的晶体结构分析显示的反平行双链环状与尿嘧啶单元氢键形成经由ħ  N（3）和OC（2）。观察到尿嘧啶单元之间的屈曲度为30.9°，并且尿嘧啶单元II和Fmoc的芴9-基（= 9 H-芴-9-基）甲氧基羰基之间存在堆积相互作用。酰肼ħ  N（3'）和Fmoc的CO基形成分子内氢键。的尿嘧啶和腺嘌呤衍生的，水溶性的酰肼联自身互补八聚体23 - 32和非自互补尿嘧啶衍生十聚体33获得通过偶联羧酸4和8在固体载体上。1个H-NMR分析在CDCl 3，CDCL的混合物3和（d 6）DMSO，和（d 8）THF表明，部分脱保护二聚体5，6，

  DOI：

  10.1002/hlca.201100124