5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物 - 环庚三烯酮
• 英文名称: 5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one
• 化学式: C12H9N3O3
• 分子量: 243.22
• InChiKey: XSSOSJHRUVFLJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [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.