(2R,3S,5R)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-[6-[2-(4-nitro-phenyl)-ethoxy]-2-(3-[2,2';5',2'']terthiophen-5-yl-propylamino)-purin-9-yl]-tetrahydro-furan-3-ol | 866455-95-0

• 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: (2R,3S,5R)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-[6-[2-(4-nitro-phenyl)-ethoxy]-2-(3-[2,2';5',2'']terthiophen-5-yl-propylamino)-purin-9-yl]-tetrahydro-furan-3-ol
• CAS: 866455-95-0
• 化学式: C₅₄H₅₀N₆O₈S₃
• 分子量: 1007.22
• InChiKey: TUQAJZPZVLHSTB-BHFAKSATSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.59
• 重原子数：
  71.0
• 可旋转键数：
  21.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  165.15
• 氢给体数：
  2.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  (2R,3S,5R)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-[6-[2-(4-nitro-phenyl)-ethoxy]-2-(3-[2,2';5',2'']terthiophen-5-yl-propylamino)-purin-9-yl]-tetrahydro-furan-3-ol 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 吡啶 为溶剂， 反应 20.0h， 以48%的产率得到9-{(2R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-2-(3-[2,2';5',2'']terthiophen-5-yl-propylamino)-1,9-dihydro-purin-6-one
  参考文献：
  名称：

  Synthesis and properties of terthiophene-modified oligodeoxynucleotides

  摘要：

  Synthesis and properties of oligodeoxynucleotides (ODNs) containing terthiophene (Thp) were described. One-electron oxidation of Thp-modified ODN resulted in the formation of Thp radical cation (Thp(.+)), which remained stable in the experimental time window up to 200 mu s, showing that charge may be carried along DNA by Thp as Thp(.+). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.004
• 作为产物：
  描述：

  2,2':5',2'-四噻吩-5-甲醛 在 palladium on activated charcoal 吡啶 、 lithium aluminium tetrahydride 、 氢气 、 triethylamine tris(hydrogen fluoride) 作用下， 以 四氢呋喃 、 吡啶 、 乙醚 、 甲苯 为溶剂， 反应 220.0h， 生成 (2R,3S,5R)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-[6-[2-(4-nitro-phenyl)-ethoxy]-2-(3-[2,2';5',2'']terthiophen-5-yl-propylamino)-purin-9-yl]-tetrahydro-furan-3-ol
  参考文献：
  名称：

  Synthesis and properties of terthiophene-modified oligodeoxynucleotides

  摘要：

  Synthesis and properties of oligodeoxynucleotides (ODNs) containing terthiophene (Thp) were described. One-electron oxidation of Thp-modified ODN resulted in the formation of Thp radical cation (Thp(.+)), which remained stable in the experimental time window up to 200 mu s, showing that charge may be carried along DNA by Thp as Thp(.+). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.004