(5aS,7S)-7-[(2S)-1-(6-aminopurin-3-yl)propan-2-yl]-3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one

• 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: (5aS,7S)-7-[(2S)-1-(6-aminopurin-3-yl)propan-2-yl]-3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one
• 化学式: C₂₁H₂₃N₅O₃
• 分子量: 393.4
• InChiKey: GACPZBUVEBGCNP-FFSVYQOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• COMPOUNDS FOR MODULATING MITOCHONDRIAL FUNCTION
  申请人：Mayo Foundation for Medical Education and Research

  公开号：US20220017467A1

  公开（公告）日：2022-01-20

  Compounds and compositions that can modulate mitochondrial function in neuronal cells are provided herein, as are methods for using the compounds and compositions to treat or prevent conditions such as Alzheimer's disease. For example, compounds of Formula I, compositions containing the compounds, and methods for using the compounds and compositions are provided herein: wherein X is absent, CH 2 , or C(O); R 1 is H, OH, CN, NO 2 , halo, C 1-3 alkyl, C 1-3 haloalkyl, C 1-3 alkoxy, C 1-3 haloalkoxy, C 3-7 cycloalkyl, amino, C 1-3 alkylamino, or di(C 1-3 alkyl)amino; R 2 is H or C 1-6 alkyl; R 3 is H, C 1-6 alkyl, —C(O)(C 1-3 alkyl), or —C(O)O(C 1-3 alkyl); R 4 is C 3-10 cycloalkyl, C 6-10 aryl, 5-10 membered heteroaryl, or 5-10 membered heterocycloalkyl, each optionally substituted by 1, 2, 3, or 4 independently selected R 5 groups; and R 5 is OH, CN, NO 2 , halo, C 1-3 alkyl, C 1-3 haloalkyl, C 1-3 alkoxy, C 1-3 haloalkoxy, C 3-7 cycloalkyl, amino, C 1-3 alkylamino, or di(C 1-3 alkyl)amino.