Acetic acid (2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-{4-[6-(9,10-dioxo-9,10-dihydro-anthracen-1-ylamino)-hexylamino]-5-methyl-2-oxo-2H-pyrimidin-1-yl}-tetrahydro-furan-3-yl ester | 812700-25-7

• 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: Acetic acid (2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-{4-[6-(9,10-dioxo-9,10-dihydro-anthracen-1-ylamino)-hexylamino]-5-methyl-2-oxo-2H-pyrimidin-1-yl}-tetrahydro-furan-3-yl ester
• CAS: 812700-25-7
• 化学式: C₅₃H₅₄N₄O₉
• 分子量: 891.033
• InChiKey: YEBCXAUUHFQIDQ-WEDPTRSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.66
• 重原子数：
  66.0
• 可旋转键数：
  19.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  156.31
• 氢给体数：
  2.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  Acetic acid (2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-{4-[6-(9,10-dioxo-9,10-dihydro-anthracen-1-ylamino)-hexylamino]-5-methyl-2-oxo-2H-pyrimidin-1-yl}-tetrahydro-furan-3-yl ester 在 甲醇 、 TEA 作用下， 以100%的产率得到1-[6-(1-{(2R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-furan-2-yl}-5-methyl-2-oxo-1,2-dihydro-pyrimidin-4-ylamino)-hexylamino]-anthraquinone
  参考文献：
  名称：

  α–β Chimeric oligo-DNA bearing intercalator-conjugated nucleobase inside the linker sequence remarkably improves thermal stability of an alternate-stranded triple helix

  摘要：

  Novel alpha-beta chimeric oligodeoxynucleotides bearing an intercalator-conjugated nucleobase located at the internal 4-nt linker region were synthesized, and their triplex-stabilizing property was examined. The triple helical DNA formed between the modified chimera DNA and double-stranded DNA exhibited remarkable thermal stability; however, the position of the intercalator-conjugated nucleobase had little influence on the stability. Among the examined, modified chimera DNA bearing the two intercalator-conjugated nucleobases at adjacent positions exhibited the highest stability. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.055
• 作为产物：
  描述：

  1-(6-aminohexyl-1-amino)anthraquinone 、 3'-O-acetyl-5'-O-dimethoxytrityl-1-[5-methyl-4-triazolylpyrimidin-2(1H)-onyl]-β-D-2'-deoxyriboside 以 N,N-二甲基乙酰胺 为溶剂， 生成 Acetic acid (2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-{4-[6-(9,10-dioxo-9,10-dihydro-anthracen-1-ylamino)-hexylamino]-5-methyl-2-oxo-2H-pyrimidin-1-yl}-tetrahydro-furan-3-yl ester
  参考文献：
  名称：

  α–β Chimeric oligo-DNA bearing intercalator-conjugated nucleobase inside the linker sequence remarkably improves thermal stability of an alternate-stranded triple helix

  摘要：

  Novel alpha-beta chimeric oligodeoxynucleotides bearing an intercalator-conjugated nucleobase located at the internal 4-nt linker region were synthesized, and their triplex-stabilizing property was examined. The triple helical DNA formed between the modified chimera DNA and double-stranded DNA exhibited remarkable thermal stability; however, the position of the intercalator-conjugated nucleobase had little influence on the stability. Among the examined, modified chimera DNA bearing the two intercalator-conjugated nucleobases at adjacent positions exhibited the highest stability. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.055