N1-甲基-2'-脱氧鸟苷 | 5132-79-6

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 中文名称: N1-甲基-2'-脱氧鸟苷
• 英文名称: Guanosine, 2'-deoxy-1-methyl-
• 英文别名: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
• CAS: 5132-79-6
• 化学式: C₁₁H₁₅N₅O₄
• 分子量: 281.27
• InChiKey: VJSHSPNFYFRXGN-UHFFFAOYSA-N

物化性质

• 熔点：
  >227°C (dec.)
• 沸点：
  690.7±65.0 °C(Predicted)
• 密度：
  1.88±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（轻微）、甲醇（轻微、加热）、水（轻微、加热）

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  126
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION
  申请人：Universität Basel

  公开号：EP3889602A1

  公开（公告）日：2021-10-06

  The invention relates to a method for modulating an interaction between an MR1 polypeptide and an MR1-specific T cell receptor molecule, whereby a MR1 polypeptide is contacted with a MR1 ligand compound that is a nucleobase adduct product reflecting a state of metabolic distress of a eukaryotic cell. The invention further relates to the use of compounds identified as MR1 ligands in vaccination or modulation of an MR1-restricted immune response.

  本发明涉及一种调节MR1多肽与MR1特异性T细胞受体分子之间相互作用的方法，其中MR1多肽与MR1配体化合物接触，MR1配体化合物是反映真核细胞代谢窘迫状态的核碱基加合物产物。 本发明进一步涉及鉴定为 MR1 配体的化合物在疫苗接种或调节 MR1 限制性免疫反应中的用途。
• [EN] MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION<br/>[FR] LIGANDS MR1 ET COMPOSITIONS PHARMACEUTIQUES POUR IMMUNOMODULATION
  申请人：UNIV BASEL

  公开号：WO2021144475A1

  公开（公告）日：2021-07-22

  The invention relates to a method for modulating an interaction between an MR1 polypeptide and an MR1-specific T cell receptor molecule, whereby a MR1 polypeptide is contacted with a MR1 ligand compound that is a nucleobase adduct product reflecting a state of metabolic distress of a cell. The invention further relates to the use of compounds identified as MR1 ligands in vaccination or modulation of an MR1-restricted immune response.