5-(2-bromoethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | 84422-56-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 5-(2-bromoethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
• CAS: 84422-56-0
• 化学式: C₃₀H₂₇BrN₂O₅
• 分子量: 575.4
• InChiKey: MYAVYWCASQUPHC-OYUWMTPXSA-N

物化性质

• 密度：
  1.466±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  88.1
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• 5-(2-Halogenovinyl)-2'-deoxyuridine derivatives, processes for their preparation, pharmaceutical compositions containing them and their use in treating viral infections
  申请人：BEECHAM GROUP PLC

  公开号：EP0082668A1

  公开（公告）日：1983-06-29

  Compounds of formula (1): in which Y is a hydrogen, chlorine, bromine or iodine atom, preferably a bromine atom, each of R', R2 and R3 is a hydrogen atom or an acyl radical of the formula in which X is optionally unsaturated straight or branched chain C1-18 alkyl, mono- or polycyclo C1-18 alkyl, C1-18 cycloalkylalkyl, phenyl optionally substituted with C1-6 alkyl, C1-6 alkoxy, nitro, optionally C1-6 alkyl substituted amino, halogen or N,N-dialkylsulphonamido, or is straight or branched chain phenyl alkyl optionally substituted in the phenyl ring with C1-6 alkyl, C1-6 alkoxy, or halogen, with the provisos that at least one of R1, R2 and R3 is an acyl radical, and that when R3 is hydrogen, R1 or R2 is not wherein X is C1-6 alkyl, are useful in the treatment of infections caused by herpes viruses, such as herpes simplex types 1 and 2, and varicella.

  式(1)化合物： 其中 Y 是氢、氯、溴或碘原子，最好是溴原子，R'、R2 和 R3 各为氢原子或式中的酰基 其中 X 是任选的不饱和直链或支链 C1-18 烷基、单环或多环 C1-18 烷基、C1-18 环烷基、任选被 C1-6 烷基取代的苯基、C1-6 烷氧基、硝基、任选被 C1-6 烷基取代的氨基、卤素或 N、N-二烷基磺酰胺基，或者是直链或支链苯基烷基，可选择在苯基环上被 C1-6 烷基、C1-6 烷氧基或卤素取代，但前提是 R1、R2 和 R3 中至少有一个是酰基，且当 R3 为氢时，R1 或 R2 不是酰基 其中 X 为 C1-6 烷基，可用于治疗由疱疹病毒（如单纯疱疹 1 型和 2 型）和水痘引起的感染。