[2-[[25-(2-hydroxyethoxy)-11,17,23-tris[[2-[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxyacetyl]amino]-26,27,28-tripropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-2-oxoethyl] [(2R,3S,5R)-2-(hydroxymethyl)-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate | 1258840-45-7

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 核糖核苷3'-磷酸盐
• 英文名称: [2-[[25-(2-hydroxyethoxy)-11,17,23-tris[[2-[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxyacetyl]amino]-26,27,28-tripropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-2-oxoethyl] [(2R,3S,5R)-2-(hydroxymethyl)-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
• CAS: 1258840-45-7
• 化学式: C₈₇H₁₁₀N₁₂O₄₁P₄
• 分子量: 2103.78
• InChiKey: BYKKIMXOAOYAAL-FTLMWRHOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  144
• 可旋转键数：
  44
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  726
• 氢给体数：
  17
• 氢受体数：
  41

反应信息

• 作为产物：
  描述：

  、 5’-(4,4’-二甲氧基三苯基)-3’-脱氧胸苷 2’-(2-氰乙基-N,N-二异丙基)亚磷酰胺 在 吡啶 、 氨 作用下， 反应 2.5h， 以82%的产率得到[2-[[25-(2-hydroxyethoxy)-11,17,23-tris[[2-[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxyacetyl]amino]-26,27,28-tripropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]-2-oxoethyl] [(2R,3S,5R)-2-(hydroxymethyl)-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
  参考文献：
  名称：

  Polymer supported calixarene derivative useful for solid-phase synthesis application

  摘要：

  A calix[4]arene derivative has been anchored to carboxyl CPG and TentaGel supports by an easily cleavable ester bond and DMT groups allow a simple loading evaluation via UV-vis spectroscopy. The loading of the calixarene on TentaGel resin has also been estimated by HR-MAS NMR experiments. The potential of the polymer supported calixarenes (9 and 10) in solid phase synthesis has been tested by condensation of four thymine nucleotide units onto the upper rim of the calix[4]arene skeleton. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.09.082

文献信息

• Polymer supported calixarene derivative useful for solid-phase synthesis application
  作者：Giuseppe Granata、Grazia M.L. Consoli、Sebastiano Sciuto、Corrada Geraci

  DOI：10.1016/j.tetlet.2010.09.082

  日期：2010.11

  A calix[4]arene derivative has been anchored to carboxyl CPG and TentaGel supports by an easily cleavable ester bond and DMT groups allow a simple loading evaluation via UV-vis spectroscopy. The loading of the calixarene on TentaGel resin has also been estimated by HR-MAS NMR experiments. The potential of the polymer supported calixarenes (9 and 10) in solid phase synthesis has been tested by condensation of four thymine nucleotide units onto the upper rim of the calix[4]arene skeleton. (C) 2010 Elsevier Ltd. All rights reserved.