Isobutyric acid (S)-3-hydroxy-2-[2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetylamino]-propyl ester | 179472-01-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: Isobutyric acid (S)-3-hydroxy-2-[2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetylamino]-propyl ester
• CAS: 179472-01-6
• 化学式: C₁₄H₂₁N₃O₆
• 分子量: 327.337
• InChiKey: ZYWXPXURRLAOGU-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.48
• 重原子数：
  23.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  130.49
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  Isobutyric acid (S)-3-hydroxy-2-[2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetylamino]-propyl ester 在 sodium hydroxide 、 TEA 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 吡啶 、 甲醇 、 二氯甲烷 为溶剂， 生成 Diisopropyl-phosphoramidous acid (S)-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. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00320-4
• 作为产物：
  描述：

  Isobutyric acid (S)-3-benzyloxy-2-[2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetylamino]-propyl ester 在 甲醇 、 palladium dihydroxide 、 环己烯 作用下， 以91%的产率得到Isobutyric acid (S)-3-hydroxy-2-[2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetylamino]-propyl 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. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00320-4