1-[2-[[(3aR,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-methylamino]ethyl]-3-[(4-tert-butylphenyl)methyl]urea

• 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: 1-[2-[[(3aR,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-methylamino]ethyl]-3-[(4-tert-butylphenyl)methyl]urea
• 化学式: C₂₈H₄₀N₈O₄
• 分子量: 552.7
• InChiKey: VOHNTAFXYVTDMK-ODZZBHCRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  142
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• COMBINATION THERAPY FOR TREATING CANCER
  申请人：Epizyme, Inc.

  公开号：US20170080010A1

  公开（公告）日：2017-03-23

  The present invention relates to compositions comprising inhibitors of human histone methyltransferase DOT1L and one or more therapeutic agents, particularly anticancer agents, and methods of combination therapy for administering to subjects in need thereof for the treatment of cancer.
• [EN] INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE PROTÉINE MÉTHYLTRANSFÉRASE DE DOT1L ET LEURS PROCÉDÉS D'UTILISATION
  申请人：EPIZYME INC

  公开号：WO2014026198A1

  公开（公告）日：2014-02-13

  The present invention relates to DOT1L inhibitors and methods of identifying, designing, or optimizing them. The present invention also relates to crystals of DOT1L- inhibitor complexes, the crystal structures thereof, and the use of the crystal structures. Also disclosed are pharmaceutical compositions containing these DOT1L inhibitors and methods of treating disorders in which DOT1-mediated protein methylation plays a part, such as cancer and neurological disorders, by administering these compounds and pharmaceutical compositions to subjects in need thereof.