4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]oxolan-2-yl]pyrimidin-2-one | 1151528-85-6

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]oxolan-2-yl]pyrimidin-2-one
• CAS: 1151528-85-6
• 化学式: C₁₃H₂₀F₂N₄O₄
• 分子量: 334.323
• InChiKey: IHGYJWURORMYBI-SCVMZPAESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  120
• 氢给体数：
  4
• 氢受体数：
  7

文献信息

• NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS
  申请人：Guzi Timothy J.

  公开号：US20110183933A1

  公开（公告）日：2011-07-28

  In its many embodiments, the present invention provides a novel class of pyrimidine analogs of formula (V) as targeted mechanism-based modulators of cell cycle checkpoints. Cancers and/or malignancies can be treated by administration of a cell cycle checkpoint modulator of the invention. Also discussed are suitable combinations of the cell cycle checkpoint modulator with a checkpoint kinase inhibitor to produce synergistic apoptosis in cancer cells. The invention includes methods of treating cancers by administering the combination of the cell cycle checkpoint modulator and the checkpoint kinase inhibitor, pharmaceutical compositions comprising the activator as well as the combination and pharmaceutical kits.