4-[[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-di(propan-2-yl)silyl]oxy-4-ethyl-N-[12-(2-methylprop-2-enoylamino)dodecyl]hexanamide | 1239896-01-5

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 核苷和核苷酸类似物
• 英文名称: 4-[[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-di(propan-2-yl)silyl]oxy-4-ethyl-N-[12-(2-methylprop-2-enoylamino)dodecyl]hexanamide
• CAS: 1239896-01-5
• 化学式: C₄₉H₈₉N₆O₉PSi
• 分子量: 965.34
• InChiKey: QEWDCQXVPKDBKJ-NDDIUTSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.14
• 重原子数：
  66
• 可旋转键数：
  35
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  181
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  、 双(二异丙基氨基)(2-氰基乙氧基)膦 在 四氮唑 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 以84%的产率得到4-[[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-di(propan-2-yl)silyl]oxy-4-ethyl-N-[12-(2-methylprop-2-enoylamino)dodecyl]hexanamide
  参考文献：
  名称：

  Scalable Synthetic Oligodeoxynucleotide Purification with Use of a Catching by Polymerization, Washing, and Releasing Approach

  摘要：

  Synthetic oligodeoxynucleotides are purified with use of a catching by polymerization, washing, and releasing approach. The method does not require any chromatography, and purification is achieved by simple operations such as shaking, washing, and extraction. It is therefore useful for large-scale purification of synthetic oligonucleotide drugs. In addition to purification of oligonucleotides, this catching by polymerization concept is expected to be equally useful for purification of other synthetic oligomers such as peptides and oligosaccharides.

  DOI：

  10.1021/ol101316g