11-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 11-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
• 英文别名: 6-(1,3-benzodioxol-5-yl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
• 化学式: C₂₂H₂₂N₂O₃
• 分子量: 362.4
• InChiKey: ZQKBFEWLMICUNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  59.6
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• COMPOSITIONS AND METHODS FOR TREATMENT OF LEUKEMIA
  申请人：Grembecka Jolanta

  公开号：US20110065690A1

  公开（公告）日：2011-03-17

  The invention relates generally to effective treatment leukemia. In particular, the present invention provides compositions and methods to inhibit the interaction of menin with MLL and MLL-fusion oncoproteins, and well as systems and methods to screen for such compositions.
• COMPOSITIONS AND METHODS RELATING TO HINDERING DOT1L RECRUITMENT BY MLL-FUSION PROTEINS
  申请人：The Regents of the University of Michigan

  公开号：US20150368300A1

  公开（公告）日：2015-12-24

  The present invention relates to MLL fusion proteins (e.g., AF9 and ENL), which activate target genes in part via recruitment of histone methyltransferase DOT1L. In particular, the present invention provides the AF9/ENL binding site in DOT1L and agents that block the protein-protein interactions between AF9/ENL and DOT1L, therefore inhibiting the activity of DOT1L, and inhibiting MLL-fusion protein associated leukemia.
• US8993552B2
  申请人：——

  公开号：US8993552B2

  公开（公告）日：2015-03-31
• US9862746B2
  申请人：——

  公开号：US9862746B2

  公开（公告）日：2018-01-09
• [EN] COMPOSITIONS AND METHODS RELATING TO HINDERING DOT1L RECRUITMENT BY MLL-FUSION PROTEINS<br/>[FR] COMPOSITIONS ET MÉTHODES EMPÊCHANT LE RECRUTEMENT DE DOT1L PAR LES PROTÉINES HYBRIDES MLL
  申请人：UNIV MICHIGAN

  公开号：WO2014127191A1

  公开（公告）日：2014-08-21

  The present invention relates to MLL fusion proteins (e.g., AF9 and ENL), which activate target genes in part via recruitment of histone methyltransferase DOT1L. In particular, the present invention provides the AF9/ENL binding site in DOT1L and agents that block the protein-protein interactions between AF9/ENL and DOT1L, therefore inhibiting the activity of DOT1L, and inhibiting MLL-fusion protein associated leukemia.