N-{(S)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-1-hydroxymethyl-ethyl}-2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetamide | 179472-11-8

• 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-{(S)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-1-hydroxymethyl-ethyl}-2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetamide
• CAS: 179472-11-8
• 化学式: C₃₁H₃₃N₃O₇
• 分子量: 559.619
• InChiKey: CAPXOLGWYCEZQW-VWLOTQADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.35
• 重原子数：
  41.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  131.88
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  2-氰乙基N,N-二异丙基氯亚磷酰胺 、 N-{(S)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-1-hydroxymethyl-ethyl}-2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetamide 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以82%的产率得到Diisopropyl-phosphoramidous acid (R)-3-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-[2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetylamino]-propyl ester 2-cyano-ethyl ester
  参考文献：
  名称：

  Amino Acid Nucleic Acids: Synthesis and Hybridization Properties of a Novel Class of Antisense Oligonucleotides

  摘要：

  Oligonucleotides containing novel phoshoramidite 12 were synthesized and studied for their hybridization properties for the first time. Interestingly, these modified oligonucleotides showed a remarkable resistance to exonuclease.

  DOI：

  10.1080/07328319708006220
• 作为产物：
  描述：

  Isobutyric acid (R)-3-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-[2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetylamino]-propyl ester 在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以99%的产率得到N-{(S)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-1-hydroxymethyl-ethyl}-2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetamide
  参考文献：
  名称：

  Amino Acid Nucleic Acids: Synthesis and Hybridization Properties of a Novel Class of Antisense Oligonucleotides

  摘要：

  Oligonucleotides containing novel phoshoramidite 12 were synthesized and studied for their hybridization properties for the first time. Interestingly, these modified oligonucleotides showed a remarkable resistance to exonuclease.

  DOI：

  10.1080/07328319708006220