2,2-dimethyl-thiopropionic acid S-(2-[[(2R,3S,4R,5R)-5-(3-carbamoyl-2-oxo-2H-pyrazine-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy]-[2-(2,2-dimethylpropionylsulfanyl)-ethoxy]-phosphoryloxy]-ethyl) ester

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-dimethyl-thiopropionic acid S-(2-[[(2R,3S,4R,5R)-5-(3-carbamoyl-2-oxo-2H-pyrazine-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy]-[2-(2,2-dimethylpropionylsulfanyl)-ethoxy]-phosphoryloxy]-ethyl) ester
• 英文别名: S-[2-[[(2R,3S,4R,5R)-5-(3-carbamoyl-2-oxo-pyrazin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate；S-[2-[[(2R,3S,4R,5R)-5-(3-carbamoyl-2-oxopyrazin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
• 化学式: C₂₄H₃₈N₃O₁₁PS₂
• 分子量: 639.685
• InChiKey: CMNGRLNNJPLSTB-WVSUBDOOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  41
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  255
• 氢给体数：
  3
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  2,2-dimethyl-thiopropionic acid S-(2-{[(3aR,4R,6R,6aR)-6-(3-carbamoyl-2-oxo-2H-pyrazine-1-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-ylmethoxy]-[2-(2,2-dimethylpropionylsulfanyl)-ethoxy]-phosphoryloxy}-ethyl)-ester 在 水 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 2,2-dimethyl-thiopropionic acid S-(2-[[(2R,3S,4R,5R)-5-(3-carbamoyl-2-oxo-2H-pyrazine-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy]-[2-(2,2-dimethylpropionylsulfanyl)-ethoxy]-phosphoryloxy]-ethyl) ester
  参考文献：
  名称：

  EP1417967

  摘要：

  公开号：

文献信息

• Novel virus proliferaton inhibition/virucidal method and novel pyradine nucleotide/pyradine nucleoside analogue
  申请人：——

  公开号：US20040235761A1

  公开（公告）日：2004-11-25

  1 wherein each of R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 and A has the same meaning as given in the specification. The present invention relates to a method for exhibiting a virus growth-inhibiting effect and/or a virucidal effect, in which pyrazine nucleotide analog [2] and pyrazine nucleoside analog [3z] are subjected to biotransformation, decomposed and then phosphorylated, so that they become a pyrazine nucleotide analog [1b] exhibiting the aforementioned effect. This method is useful as a method for treating virus infections. Moreover, the pyrazine carboxamide analog or a salt thereof of the present invention is useful as an agent for preventing or treating virus infections.

  本发明涉及一种展示病毒生长抑制效应和/或病毒灭活效应的方法，其中将吡嗪核苷酸类似物[2]和吡嗪核苷类似物[3z]经生物转化、分解和磷酸化，使其成为展示前述效应的吡嗪核苷酸类似物[1b]。该方法可用作治疗病毒感染的方法。此外，本发明的吡嗪羧酰胺类似物或其盐可用作预防或治疗病毒感染的药剂。其中R1、R2、R3、R4、R5、R6、R7、R8、R9和A的含义与规范中所述相同。