[(2S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2,2,2-trifluoroacetate

• 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: [(2S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2,2,2-trifluoroacetate
• 化学式: C12H12F3N5O5
• 分子量: 363.25
• InChiKey: ZLMQIWIQQKMBGO-SPDVFEMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  99.3
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• Fluorinated 3'-Deoxythymidine Derivatives, a Method for Their Preparation and Their Use
  申请人：Baerwolff Dieter

  公开号：US20080292550A1

  公开（公告）日：2008-11-27

  The invention relates to new side chain-fluorinated 3′-deoxythymidine derivatives of the general formula I or physiological acceptable esters thereof, wherein R═CH 2 18 F; CH 18 F 2 ; CH 2 F or CHF 2 and Y═H, N 3 or Hal. The invention also relates to a simple and efficient method for the preparation of these 3′-deoxythymidines of formula I and to the use of the 18 F-containing compounds of formula I or of a pharmaceutical composition comprising these compounds for the diagnosis of tumors in positron emission tomography (PET).