[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: [5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
• 化学式: C₂₀H₂₅N₁₀O₁₀P
• 分子量: 596.4
• InChiKey: CJUIKAWANGRMQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.4
• 重原子数：
  41
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  294
• 氢给体数：
  7
• 氢受体数：
  18

文献信息

• 2′3′ cyclic dinucleotides with phosphonate bond activating the sting adaptor protein
  申请人：INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

  公开号：US11203610B2

  公开（公告）日：2021-12-21

  The present disclosure relates to 2′3′ cyclic phosphonate dinucleotides of general formula (J), their pharmaceutically acceptable salts, their pharmaceutical composition and combinations of said substances and other medicaments or pharmaceuticals. The disclosure also relates to the use of said compounds for the treatment or prevention of diseases or conditions modifiable by STING protein modulation, such as cancer or viral, allergic and inflammatory diseases. In addition, these substances can be used as adjuvants in vaccines.

  本公开涉及通式(J)的2′3′环膦酸二核苷酸、它们的药学上可接受的盐、它们的药物组合物和所述物质与其他药物或药品的组合物。本公开还涉及上述化合物用于治疗或预防可通过 STING 蛋白调节而改变的疾病或病症，如癌症或病毒性、过敏性和炎症性疾病。此外，这些物质还可用作疫苗佐剂。