2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-2,3-diol

• 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: 2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-2,3-diol
• 化学式: C₃₀H₄₂N₈O₃
• 分子量: 562.7
• InChiKey: RHPPZFHFDRPOML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  41
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  151
• 氢给体数：
  4
• 氢受体数：
  9

文献信息

• INJECTABLE FORMULATIONS FOR TREATING CANCER
  申请人：Epizyme, Inc.

  公开号：EP2968390A1

  公开（公告）日：2016-01-20
• [EN] INJECTABLE FORMULATIONS FOR TREATING CANCER<br/>[FR] FORMULATIONS INJECTABLES PERMETTANT DE TRAITER LE CANCER
  申请人：EPIZYME INC

  公开号：WO2014152562A1

  公开（公告）日：2014-09-25

  The present invention provides injectable formulations of (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H- benzo[d]imidazol-2-yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diol and hydrates thereof and methods for treating disorders in which DOT1-mediated protein methylation plays a part, such as cancer and neurological disorders. Disease-associated chromatin-modifying enzymes (e.g., DOT1L) play a role in diseases such as proliferative disorders, metabolic disorders, and blood disorders. The formulations further include a solubilizer such as cyclodextrins; pH adjustment reagent such as citric acid; and isotonic reagent such as dextrose or sodium chloride.