4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxybut-3-enyl)oxolan-2-yl]pyrimidin-2-one | 1151529-17-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxybut-3-enyl)oxolan-2-yl]pyrimidin-2-one
• CAS: 1151529-17-7
• 化学式: C₁₂H₁₅F₂N₃O₄
• 分子量: 303.266
• InChiKey: MTCXQPPUCIPWDM-JPMHVPNBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1(2H)-yl)-4,4-difluoro-2-((S)-1-hydroxybut-3-en-1-yl)tetrahydrofuran-3-yl benzoate 在 甲醇 、 氨 作用下， 反应 4.0h， 以97%的产率得到4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(1-hydroxybut-3-enyl)oxolan-2-yl]pyrimidin-2-one
  参考文献：
  名称：

  [EN] NOVEL MODULATORS OF CELL CYCLE CHECKPOINTS AND THEIR USE IN COMBINATION WITH CHECKPOINT KINASE INHIBITORS
  [FR] NOUVEAUX MODULATEURS DE POINTS DE CONTRÔLE DU CYCLE CELLULAIRE ET LEUR UTILISATION EN COMBINAISON AVEC DES INHIBITEURS DE KINASE DE POINT DE CONTRÔLE

  摘要：

  在其多种实施方式中，本发明提供了一类新型的嘧啶类似物，其化学式为（V），作为细胞周期检查点的靶向机制调节剂。可以通过给予本发明的细胞周期检查点调节剂来治疗癌症和/或恶性肿瘤。还讨论了适当的细胞周期检查点调节剂与检查点激酶抑制剂的组合，以在癌细胞中产生协同凋亡。该发明包括通过给予细胞周期检查点调节剂和检查点激酶抑制剂的组合来治疗癌症的方法，以及包含激活剂以及该组合的药物组合和药物配套工具。

  公开号：

  WO2009061781A1

文献信息

• [EN] SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS<br/>[FR] NUCLEOSIDE SUBSTITUE ET ANALOGUES NUCLEOTIDIQUES
  申请人：ALIOS BIOPHARMA INC

  公开号：WO2010108140A1

  公开（公告）日：2010-09-23

  Disclosed herein are nucleotide analogs with protected phosphates, methods of synthesizing nucleotide analogs with protected phosphates and methods of treating diseases and/or conditions such as viral infections, cancer, and/or parasitic diseases with the nucleotide analogs with protected phosphates.

  本文披露了具有保护磷酸酯基团的核苷酸类似物，以及合成具有保护磷酸酯基团的核苷酸类似物的方法，以及利用具有保护磷酸酯基团的核苷酸类似物治疗病毒感染、癌症和/或寄生虫病等疾病和/或症状的方法。
• SUBSTITUTED NUCLEOTIDE ANALOGS
  申请人：Beigelman Leonid

  公开号：US20120070411A1

  公开（公告）日：2012-03-22

  Disclosed herein are phosphoroamidate nucleotide analogs, methods of synthesizing phosphoroamidate nucleotide analogs and methods of treating diseases and/or conditions such as viral infections, cancer, and/or parasitic diseases with the phosphoroamidate nucleotide analogs.

  本文揭示了磷酰胺核苷类似物、合成磷酰胺核苷类似物的方法以及使用磷酰胺核苷类似物治疗病毒感染、癌症和/或寄生虫病等疾病和/或病况的方法。
• SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS
  申请人：Beigelman Leonid

  公开号：US20100249068A1

  公开（公告）日：2010-09-30

  Disclosed herein are nucleotide analogs with protected phosphates, methods of synthesizing nucleotide analogs with protected phosphates and methods of treating diseases and/or conditions such as viral infections, cancer, and/or parasitic diseases with the nucleotide analogs with protected phosphates.

  本文公开了一种具有保护磷酸酯的核苷酸类似物，合成具有保护磷酸酯的核苷酸类似物的方法以及使用具有保护磷酸酯的核苷酸类似物治疗病毒感染、癌症和/或寄生虫病等疾病和/或病况的方法。
• Substituted nucleoside and nucleotide analogs
  申请人：Alios Biopharma, Inc.

  公开号：EP2623104A1

  公开（公告）日：2013-08-07

  Disclosed herein are nucleotide analogs with protected phosphates, methods of synthesizing nucleotide analogs with protected phosphates and methods of treating diseases and/or conditions such as viral infections, cancer, and/or parasitic diseases with the nucleotide analogs with protected phosphates.

  本文公开了具有受保护磷酸盐的核苷酸类似物、合成具有受保护磷酸盐的核苷酸类似物的方法以及用具有受保护磷酸盐的核苷酸类似物治疗疾病和/或病症（如病毒感染、癌症和/或寄生虫病）的方法。
• 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.