[hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-(6-hydroxy-6-methyl-8H-purin-9-yl)-4-sulfanyloxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [hydroxy-[[(2R,3R,4R,5R)-3-hydroxy-5-(6-hydroxy-6-methyl-8H-purin-9-yl)-4-sulfanyloxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
• 化学式: C₁₁H₁₉N₄O₁₃P₃S
• 分子量: 540.28
• InChiKey: QORHGMYXCUKOOA-SPIULWCRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.6
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  251
• 氢给体数：
  7
• 氢受体数：
  16

文献信息

• 3'3' 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：US20190183917A1

  公开（公告）日：2019-06-20

  Provided herein are the 3′3′ cyclic phosphonate dinucleotides of general formula J, their pharmaceutically acceptable salts, a pharmaceutical composition containing them 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.

  本文提供了一般式J的3′3′环磷酸二核苷酸及其药学上可接受的盐、包含它们的制药组合物以及与其他药物或制药品的混合物。本文还涉及使用这些化合物治疗或预防可通过STING蛋白调节改变的疾病或病症，例如癌症或病毒性、过敏性和炎症性疾病。此外，这些物质可以用作疫苗佐剂。
• 3′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：US10966999B2

  公开（公告）日：2021-04-06

  Provided herein are the 3′3′ cyclic phosphonate dinucleotides of general formula J, their pharmaceutically acceptable salts, a pharmaceutical composition containing them 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.

  本文提供了通式 J 的 3′3′环膦酸二核苷酸、它们的药学上可接受的盐、含有它们的药物组合物以及上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。
• Modified Diguanylate Cyclase-Phosphodiesterase and Method for Enzymatic Production of Cyclic-diGMP
  申请人：NESBITT Natasha M.

  公开号：US20140170689A1

  公开（公告）日：2014-06-19

  The present invention provides a recombinant polypeptide comprising a first portion and a second portion, wherein the sequence of the first portion is fully identical to amino acids 1 to 248 of the sequence set forth as SEQ ID NO:1 and the sequence of the second portion is other than amino acids 249 to 511 of the sequence set forth as SEQ ID NO:1.