[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;(8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑二氮卓类
• 英文名称: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;(8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
• 化学式: C36H54N4O9
• 分子量: 686.8
• InChiKey: ALHPZNSVIHYCLV-AQABLZQLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  49
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  185
• 氢给体数：
  5
• 氢受体数：
  11

文献信息

• [EN] METHODS AND COMPOSITIONS FOR TARGETING CANCER STEM CELLS<br/>[FR] PROCÉDÉS ET COMPOSITIONS DE CIBLAGE DE CELLULES SOUCHES CANCÉREUSES
  申请人：UNIV MICHIGAN

  公开号：WO2014085485A1

  公开（公告）日：2014-06-05

  The present invention relates to chemical compounds, methods for their discovery, and their therapeutic and research use. In particular, the present invention provides compounds as therapeutic agents against cancer stem cells.