{[(2S,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid

• 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: {[(2S,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid
• 英文别名: [5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
• 化学式: C₁₀H₁₄N₅O₆P
• 分子量: 331.22
• InChiKey: SDMRBYKCQICSIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  161
• 氢给体数：
  4
• 氢受体数：
  7

文献信息

• [EN] BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF<br/>[FR] CONJUGUÉS PEPTIDE-LIGAND BICYCLIQUE ET LEURS UTILISATIONS
  申请人：BICYCLETX LTD

  公开号：WO2020165600A1

  公开（公告）日：2020-08-20

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用方法。
• CYCLIC [(2',5')P(3',5')P]-DINUCLEOTIDES FOR CYTOKINE INDUCTION
  申请人：Kayla Therapeutics

  公开号：EP3546473A1

  公开（公告）日：2019-10-02

  The invention concerns a cyclic dinucleotide compound of Formula (I): wherein X1 is H or F; X2 is H or F; at least one among X1 and X2 is a fluorine atom; Z is OH, OR1, SH or SR1, wherein: R1 is Na or NH4, or R1 is an enzyme-labile group which provides OH or SH in vivo such as pivaloyloxymethyl; B1 and B2 are bases chosen from Adenine, Hypoxanthine or Guanine, and B1 is a different base than B2 and a pharmaceutically acceptable salt thereof. The invention also concerns pharmaceutical compositions comprising said cyclic dinucleotide, as well as their use in the treatment of a bacterial infection, a viral infection or a cancer.

  本发明涉及一种式（I）的环状二核苷酸化合物： 其中 X1 是 H 或 F；X2 是 H 或 F；X1 和 X2 中至少有一个是氟原子；Z 是 OH、OR1、SH 或 SR1，其中：R1是Na或NH4，或R1是在体内提供OH或SH的酶抑制基团，如新戊酰氧基甲基；B1和B2是选自腺嘌呤、次黄嘌呤或鸟嘌呤的碱基，B1是与B2不同的碱基及其药学上可接受的盐。本发明还涉及包含上述环二核苷酸的药物组合物，以及它们在治疗细菌感染、病毒感染或癌症中的用途。
• FLUORINATED CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION
  申请人：Kayla Therapeutics

  公开号：EP3233882B1

  公开（公告）日：2019-10-30
• LNA-G PROCESS
  申请人：Roche Innovation Center Copenhagen A/S

  公开号：EP3341479B1

  公开（公告）日：2019-12-18
• LNA-G Process
  申请人：Roche Innovation Center Copenhagen A/S

  公开号：US20190055550A1

  公开（公告）日：2019-02-21

  Recent advancements in LNA oligonucleotides include the use of amine linkers to link an LNA antisense oligonucleotide to a conjugate group. For example please see WO2014/118267. The present invention originates from the identification of a problem when de-protecting LNA oligonucleotides which comprise an aliphatic amine group and DMF protected LNA G nucleoside, which results in the production of a +28 Da impurity. This problem is solved by using acyl protection groups on the exocyclic nitrogen of the LNA-G residue, rather than the standard DMF protection group.