n-Methyl-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine | 13241-46-8

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 吡咯并嘧啶核苷和核苷酸
• 英文名称: n-Methyl-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine
• 英文别名: 2-(hydroxymethyl)-5-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
• CAS: 13241-46-8
• 化学式: C₁₂H₁₆N₄O₄
• 分子量: 280.28
• InChiKey: VEMBQZKPZAZEFQ-UHFFFAOYSA-N

物化性质

• 熔点：
  173-176 °C(Solv: water (7732-18-5))
• 沸点：
  626.0±55.0 °C(Predicted)
• 密度：
  1.72±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  113
• 氢给体数：
  4
• 氢受体数：
  7

文献信息

• ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK
  申请人：NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING

  公开号：US20210338706A1

  公开（公告）日：2021-11-04

  The present invention provides a kind of nucleoside analogue compounds, and a composition comprising the compound and pentostatin, their use for modulating circadian rhythm, preferably, for shifting circadian phase, and methods for modulating circadian rhythm, preferably, for shifting circadian phase via the compound or the composition.
• [EN] ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK<br/>[FR] ANALOGUE D'ADÉNOSINE ET SON UTILISATION DANS LA RÉGULATION DE L'HORLOGE CIRCADIENNE
  申请人：NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING

  公开号：WO2018133854A1

  公开（公告）日：2018-07-26

  Provided are a kind of nucleoside analogue compounds, and compositions comprising these compounds and pentostatin, their use for modulating circadian rhythm, preferably, for shifting circadian phase, and methods for modulating circadian rhythm, preferably, for shifting circadian phase via these compounds or the compositions.