Methanesulfonic acid (2R,3S,5R)-2-({[(4-methoxy-phenyl)-diphenyl-methyl]-amino}-methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester | 278168-48-2

• 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 (2R,3S,5R)-2-({[(4-methoxy-phenyl)-diphenyl-methyl]-amino}-methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester
• CAS: 278168-48-2
• 化学式: C₃₁H₃₃N₃O₇S
• 分子量: 591.685
• InChiKey: AIGQLNIZIIVEJR-UPRLRBBYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.07
• 重原子数：
  42.0
• 可旋转键数：
  10.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  128.72
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  Methanesulfonic acid (2R,3S,5R)-2-({[(4-methoxy-phenyl)-diphenyl-methyl]-amino}-methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester 在 叠氮化锂 、 硫化氢 、 potassium phtalimide 作用下， 以 吡啶 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 5'-N-monomethoxytrityl-3'-amino-3',5'-dideoxythymidine
  参考文献：
  名称：

  Solid-phase synthesis of oligomeric deoxynucleic-thiourea (DNT) and deoxynucleic S -methylthiourea (DNmt): a neutral/polycationic analogue of DNA

  摘要：

  A solid-phase synthesis for oligomeric DNmt is reported. Synthesis proceeds in 3'-5' direction and involves coupling of a protected 3'-isothiocyanate with the corresponding 5'-amine of the growing oligo chain. The difference in oligomeric thiourea/ S-methylthiourea binding to DNA is investigated. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00085-8
• 作为产物：
  描述：

  5-氨基-5-脱氧胸腺嘧啶脱氧核苷 在 吡啶 、 4-二甲氨基吡啶 作用下， 生成 Methanesulfonic acid (2R,3S,5R)-2-({[(4-methoxy-phenyl)-diphenyl-methyl]-amino}-methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester
  参考文献：
  名称：

  Solid-phase synthesis of oligomeric deoxynucleic-thiourea (DNT) and deoxynucleic S -methylthiourea (DNmt): a neutral/polycationic analogue of DNA

  摘要：

  A solid-phase synthesis for oligomeric DNmt is reported. Synthesis proceeds in 3'-5' direction and involves coupling of a protected 3'-isothiocyanate with the corresponding 5'-amine of the growing oligo chain. The difference in oligomeric thiourea/ S-methylthiourea binding to DNA is investigated. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00085-8