2-[(2S,5R)-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]ethylphosphonic acid

• 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: 2-[(2S,5R)-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]ethylphosphonic acid
• 英文别名: 2-[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]ethylphosphonic acid
• 化学式: C₁₁H₁₆N₅O₄P
• 分子量: 313.25
• InChiKey: CEYQZUIQPPDKMZ-JGVFFNPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  136
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• [EN] 3'3' CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE<br/>[FR] DINUCLÉOTIDES 3'3' CYCLIQUES COMPRENANT UN ALCÉNYLÈNE
  申请人：INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V V I

  公开号：WO2022007986A1

  公开（公告）日：2022-01-13

  The present disclosure relates to 3'3' 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. (Formula (J))