S-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxopyridin-3-yl] N,N-diphenylcarbamothioate | 1040766-64-0

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: S-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxopyridin-3-yl] N,N-diphenylcarbamothioate
• CAS: 1040766-64-0
• 化学式: C₂₃H₂₂N₂O₅S
• 分子量: 438.504
• InChiKey: XEXDQWCFLFJWER-TUNNFDKTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  S-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxopyridin-3-yl] N,N-diphenylcarbamothioate 在 ammonium hydroxide 、 DL-dithiothreitol 作用下， 反应 24.0h， 以32%的产率得到1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-sulfanylpyridin-4-one
  参考文献：
  名称：

  软金属介导的碱基对，具有新颖的具有O，S-配体配体的合成核苷

  摘要：

  Metal-mediated base pairing with artificial ligand-bearing nucleosides allows site-selective metal incorporation inside DNA duplexes. In particular, this strategy has provided a general way of discrete, heterogeneous metal arrays in a programmable manner. To increase the kind of metallo-building blocks, we have newly synthesized two artificial nucleosides which have an O,S-donor ligand as the nucleobase moiety, mercaptopyridone (M) and hydroxypyridinethione (S). These nucleosides were found to efficiently form metal-mediated base pairs with soft transition metal ions such as Pd2+ and Pt2+.

  DOI：

  10.1021/jo800587d