6-(3-Cyan-propylmercapto)-purin | 90350-11-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 6-(3-Cyan-propylmercapto)-purin
• 英文别名: γ-(Purinyl-(6)-mercapto)-butyronitril；4-(7(9)H-purin-6-ylsulfanyl)-butyronitrile；4-(7H-purin-6-ylsulfanyl)butanenitrile
• CAS: 90350-11-1
• 化学式: C₉H₉N₅S
• 分子量: 219.27
• InChiKey: ULJAJYRODRQVHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Rapidly Released Bioorthogonal Caging Groups
  申请人：University of Utah Research Foundation

  公开号：US20210205461A1

  公开（公告）日：2021-07-08

  Bioorthogonal molecules are disclosed and described. A bioorthogonal a molecule having a structure according to: Formula (I); where R 2 , R 3 , and R 4 are independently selected from H, a substituted or unsubstituted C 1 -C 4 alkyl or alkylene group, a substituted or unsubstituted aryl, COOR 9 , COR 9 , CONR 9 R 10 , CN, CF 3 , SO 2 R 9 , or a tether molecule; R 1 is —R 5 , —OCOR 6 , —COR 7 , or —R 8 ; R 5 is —R 8 , —OH, or tosyl; R 6 is a nitrophenyl ether or —R 8 ; R 7 is —R 8 ; R 8 is a payload or a molecular linker to a payload; and R 9 and R 10 are independently selected from H or a substituted or unsubstituted C 1 -C 4 alkyl or alkene group.