Methanesulfonic acid (E)-7-[(2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3-(tert-butyl-dimethyl-silanyloxy)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-yl]-hept-6-enyl ester | 172280-75-0

• 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: Methanesulfonic acid (E)-7-[(2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3-(tert-butyl-dimethyl-silanyloxy)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-yl]-hept-6-enyl ester
• CAS: 172280-75-0
• 化学式: C₄₅H₆₀N₂O₁₀SSi
• 分子量: 849.13
• InChiKey: BUJLBXHKFQIIKS-NUOWCSHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.01
• 重原子数：
  59.0
• 可旋转键数：
  19.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  144.38
• 氢给体数：
  1.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  Methanesulfonic acid (E)-7-[(2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3-(tert-butyl-dimethyl-silanyloxy)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-yl]-hept-6-enyl ester 在 sodium azide 作用下， 生成 1-[(2R,4S,5R)-5-((E)-7-Azido-hept-1-enyl)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-(tert-butyl-dimethyl-silanyloxy)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Oligodeoxynucleotide probes with multiple labels linked to the 4′-position of thymidine monomers: Excellent duplex stability and detection sensitivity

  摘要：

  A modified thymidine phosphoramidite monomer 1 has been synthesized bearing a 4'-linker arm terminating in a protected primary amine. This monomer has been incorporated once, three and four times, respectively, into short oligodeoxynucleotide probes targeting a specific sequence in the genome of Mycobacterium tuberculosis. These probes, following standard biotinylation, retained their ability to form hybrid duplex DNA structures and the two multiply labeled probes provided a stronger detection signal than the mono biotinylated probe.

  DOI：

  10.1016/s0040-4039(00)78243-8
• 作为产物：
  描述：

  3'-O-(tert-butyldimethylsilyl)-4'-(hydroxymethyl)-thymidine 在 sodium perborate 、 二甲基硫 、 草酸氯化物 、 硼烷 、 sodium hydride 、 三乙胺 作用下， 以 二甲基亚砜 为溶剂， 生成 Methanesulfonic acid (E)-7-[(2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3-(tert-butyl-dimethyl-silanyloxy)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-yl]-hept-6-enyl ester
  参考文献：
  名称：

  Oligodeoxynucleotide probes with multiple labels linked to the 4′-position of thymidine monomers: Excellent duplex stability and detection sensitivity

  摘要：

  A modified thymidine phosphoramidite monomer 1 has been synthesized bearing a 4'-linker arm terminating in a protected primary amine. This monomer has been incorporated once, three and four times, respectively, into short oligodeoxynucleotide probes targeting a specific sequence in the genome of Mycobacterium tuberculosis. These probes, following standard biotinylation, retained their ability to form hybrid duplex DNA structures and the two multiply labeled probes provided a stronger detection signal than the mono biotinylated probe.

  DOI：

  10.1016/s0040-4039(00)78243-8