N-{(E)-7-[(2R,3S,5R)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-yl]-hept-6-enyl}-2,2,2-trifluoro-acetamide | 172280-78-3

• 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: N-{(E)-7-[(2R,3S,5R)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-yl]-hept-6-enyl}-2,2,2-trifluoro-acetamide
• 英文别名: N-[(E)-7-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]hept-6-enyl]-2,2,2-trifluoroacetamide
• CAS: 172280-78-3
• 化学式: C₄₀H₄₄F₃N₃O₈
• 分子量: 751.8
• InChiKey: ZMVULYHNINMVSH-LZUITEQWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  54
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  136
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  N-{(E)-7-[(2R,3S,5R)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-yl]-hept-6-enyl}-2,2,2-trifluoro-acetamide 、 alkaline earth salt of/the/ methylsulfuric acid 以81%的产率得到Diisopropyl-phosphoramidous acid (2R,3S,5R)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-[(E)-7-(2,2,2-trifluoro-acetylamino)-hept-1-enyl]-tetrahydro-furan-3-yl ester 2-cyano-ethyl 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
• 作为产物：
  描述：

  3'-O-(tert-butyldimethylsilyl)-4'-(hydroxymethyl)-thymidine 在 1,3-丙二硫醇 、 sodium azide 、 sodium perborate 、 二甲基硫 、 草酸氯化物 、 硼烷 、 四丁基氟化铵 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 生成 N-{(E)-7-[(2R,3S,5R)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-yl]-hept-6-enyl}-2,2,2-trifluoro-acetamide
  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

文献信息

• US5446137A
  申请人：——

  公开号：US5446137A

  公开（公告）日：1995-08-29
• US5750343A
  申请人：——

  公开号：US5750343A

  公开（公告）日：1998-05-12
• Oligodeoxynucleotide probes with multiple labels linked to the 4′-position of thymidine monomers: Excellent duplex stability and detection sensitivity
  作者：Hans Maag、Beat Schmidt、Samuel J. Rose

  DOI：10.1016/s0040-4039(00)78243-8

  日期：1994.8

  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.