1-(6-amino-purin-9-yl)-O³,O⁵-dimethyl-β-D-1-deoxy-arabinofuranose | 60738-15-0

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 1-(6-amino-purin-9-yl)-O³,O⁵-dimethyl-β-D-1-deoxy-arabinofuranose
• 英文别名: (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
• CAS: 60738-15-0
• 化学式: C₁₂H₁₇N₅O₄
• 分子量: 295.298
• InChiKey: IHLCISFBURFUBT-IQEPQDSISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20170044206A1

  公开（公告）日：2017-02-16

  A class of polycyclic compounds of general formula (I), of general formula (I′), or of general formula (I″), wherein Base 1 , Base 2 , Y, Y a , X a , X a1 , X b , X b1 , X c , X c1 , X d , X d1 , R 1 , R 1a , R 2 , R 2a , R 3 , R 4 , R 4a , R 5 , R 6 , R 6a , R 7 , R 7a , R 8 , and R 8a are defined herein, that may be useful as inductors of type I interferon production, specifically as STING active agents, are provided. Also provided are processes for the synthesis and use of compounds.