2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one

• 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: 2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one
• 化学式: C₁₉H₂₆N₉O₉P
• 分子量: 555.4
• InChiKey: DONKNUXECIORFY-ZCIMCAPRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.6
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  251
• 氢给体数：
  5
• 氢受体数：
  10

文献信息

• [EN] DRUG COMBINATIONS<br/>[FR] COMBINAISONS DE MÉDICAMENTS
  申请人：ASTEX PHARMACEUTICALS INC

  公开号：WO2014134355A1

  公开（公告）日：2014-09-04

  The invention provides combinations of derivatives of decitabine and other active agents, including T-cell activating agents, cancer vaccines, and adjuvants. Some derivatives of decitabine exhibit superior chemical stability and shelf life, with similar physiological activity. Methods of treating one or more myelodysplasia syndromes, cancers, haematological disorders, or diseases associated with abnormal haemoglobin synthesis using the combinations are described.

  该发明提供了脱氧阿糖胞苷衍生物和其他活性药剂（包括T细胞激活剂、癌症疫苗和佐剂）的组合物。一些脱氧阿糖胞苷衍生物表现出卓越的化学稳定性和货架寿命，具有类似的生理活性。本发明描述了使用这些组合物治疗一个或多个骨髓增生异常综合征、癌症、血液学疾病或与异常血红蛋白合成有关的疾病的方法。
• DRUG FORMULATIONS
  申请人：Joshi-Hangal Rajashree

  公开号：US20140303107A1

  公开（公告）日：2014-10-09

  The invention provides derivatives of decitabine with superior chemical stability and shelf life, with similar physiological activity. The derivatives are provided in a non-aqueous formulation, which further stabilizes the derivatives. Methods of treating one or more myelodysplastic syndromes, leukemia, or solid tumours using the formulations are described.
• DRUG COMBINATIONS
  申请人：ASTEX PHARMACEUTICALS, INC.

  公开号：US20160015805A1

  公开（公告）日：2016-01-21

  The invention provides combinations of derivatives of decitabine and other active agents, including T-cell activating agents, cancer vaccines, and adjuvants. Some derivatives of decitabine exhibit superior chemical stability and shelf life, with similar physiological activity. Methods of treating one or more myelodysplasia syndromes, cancers, haematological disorders, or diseases associated with abnormal haemoglobin synthesis using the combinations are described.
• USING DNA METHYLTRANSFERASE INHIBITORS TO TREAT CALCIFIC AORTA VALVE DISEASE
  申请人：MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH

  公开号：US20160082025A1

  公开（公告）日：2016-03-24

  Materials and methods for using DNA methyltransferase inhibitors to slow progression of aortic valve calcification and stenosis are provided.
• Drug formulations
  申请人：Astex Pharmaceuticals, Inc.

  公开号：US20160346310A1

  公开（公告）日：2016-12-01

  The invention provides derivatives of decitabine with superior chemical stability and shelf life, with similar physiological activity. The derivatives are provided in a non-aqueous formulation, which further stabilizes the derivatives. Methods of treating one or more myelodysplastic syndromes, leukemia, or solid tumours using the formulations are described.