((2R,3S,5R)-5-(5-((E)-2-bromovinyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl pivalate

• 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: ((2R,3S,5R)-5-(5-((E)-2-bromovinyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl pivalate
• 英文别名: [(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
• 化学式: C₁₆H₂₁BrN₂O₆
• 分子量: 417.25
• InChiKey: VYPLIMZAMFYHRU-MRPUBWEVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Antiviral agents, their preparation and use
  申请人：BEECHAM GROUP PLC

  公开号：EP0061283A1

  公开（公告）日：1982-09-29

  Compounds of formula (I): in which Y is a halogen atom, preferably a bromine atom, each of R' and R2 is a hydrogen atom or an acyl radical of the formula in which X is a C1-6 alkyl group or a carboxy group of the formula in which Z is a branched- or straight-chain alkylene radical having from 1 to 4 carbon atoms in the chain, with the proviso that R' and R2 are not simultaneously hydrogen atoms or acetyl groups; are useful in the treatment of viral infection, particularly those caused by herpes viruses.

  式（I）化合物：其中 Y 为卤素原子，最好是溴原子，R'和 R2 各为氢原子或式中的酰基，式中 X 为 C1-6 烷基或式中的羧基，式中 Z 为支链或直链亚烷基，链中有 1 至 4 个碳原子，但 R' 和 R2 不能同时为氢原子或乙酰基；可用于治疗病毒感染，特别是由疱疹病毒引起的感染。