4-amino-1-((4aR,6R,7aR)-7,7-difluoro-2-(((4RS,5RS)-5-(2-(2-(2-methoxyethoxyl)ethoxy)ethoxy)-1,2-dithian-4-yl)oxy)-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)pyrimidin-2(1H)-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-amino-1-((4aR,6R,7aR)-7,7-difluoro-2-(((4RS,5RS)-5-(2-(2-(2-methoxyethoxyl)ethoxy)ethoxy)-1,2-dithian-4-yl)oxy)-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)pyrimidin-2(1H)-one
• 英文别名: 1-[(4aR,6R,7aR)-7,7-difluoro-2-[(4R,5R)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dithian-4-yl]oxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-aminopyrimidin-2-one
• 化学式: C₂₀H₃₀F₂N₃O₁₀PS₂
• 分子量: 605.575
• InChiKey: UFEITBGLZIXLFV-RYVBYCDVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  200
• 氢给体数：
  1
• 氢受体数：
  14

文献信息

• NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20150315221A1

  公开（公告）日：2015-11-05

  The present invention relates to disulfide masked prodrug compounds, compositions and methods that are amenable to bioactivation by a reducing agent such as glutathione. Such disulfide based compounds, compositions, and methods can be useful, for example, in providing novel prodrugs for use as therapeutics.

  本发明涉及一种二硫化物掩蔽的前药化合物、组合物和方法，这些化合物、组合物和方法可通过还原剂如谷胱甘肽进行生物活化。这种基于二硫化物的化合物、组合物和方法可以用于提供新型前药，例如用作治疗药物。
• US9624249B2
  申请人：——

  公开号：US9624249B2

  公开（公告）日：2017-04-18
• [EN] NUCLEOSIDE KINASE BYPASS COMPOSITIONS AND METHODS<br/>[FR] COMPOSITIONS ET MÉTHODES DE DÉRIVATION DE KINASES NUCLÉOSIDIQUES
  申请人：MERCK SHARP & DOHME

  公开号：WO2014088923A1

  公开（公告）日：2014-06-12

  The present invention relates to disulfide masked prodrug compounds, compositions and methods that are amenable to bioactivation by a reducing agent such as glutathione. Such disulfide based compounds, compositions, and methods can be useful, for example, in providing novel prodrugs for use as therapeutics. The compounds feature a conformationally restricted disulfide phosphotriester moiety to mask anionic charge. The compounds include a 1,2-dithigne moiety.