Simurosertib hemihydrate | 2135874-50-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: Simurosertib hemihydrate
• 英文别名: 2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrate
• CAS: 2135874-50-7
• 化学式: C34H40N10O3S2
• 分子量: 700.9
• InChiKey: ZEVOHYVKGUGTDT-DHHADUQMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.86
• 重原子数：
  49
• 可旋转键数：
  4
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  204
• 氢给体数：
  5
• 氢受体数：
  9

文献信息

• Process for the synthesis of 2-[(2S)-1-azabicyclo[2.2.2]oct-2-yl]-6-(3-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US11524957B2

  公开（公告）日：2022-12-13

  The present invention provides processes and synthetic intermediates for the synthesis of 2-[(2S)-1-azabicyclo[2.2.2]oct-2-yl]-6-(3-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4 3H)-one or a salt, hydrate, or tautomer thereof, or any combination thereof, which are Cdc7 kinase inhibitors, and are useful for the treatment of disorders of cell proliferation, particularly cancer, and other disorders associated with Cdc7 activity.

  本发明提供了合成 2-[(2S)-1-氮杂双环[2.2.2]辛-2-基]-6-(3-甲基-1H-吡唑-4-基)噻吩并[3,2-d]嘧啶-4 3H)-酮或其盐、水合物或同系物，或其任意组合，它们是Cdc7激酶抑制剂，可用于治疗细胞增殖紊乱，特别是癌症，以及与Cdc7活性相关的其他紊乱。
• CRYSTALLINE FORMS OF 2-[(2S)-1-AZABICYCLO[2.2.2]OCT-2-YL]-6-(3-METHYL-1H- PYRAZOL-4-YL)THIENO[3,2-D]PYRIMIDIN-4(3H)-ONE HEMIHYDRATE
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP3436463A1

  公开（公告）日：2019-02-06
• CANCER TREATMENT METHODS BASED ON TP53 MUTATION STATUS AND HYPERMUTATION STATUS
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP3810810A1

  公开（公告）日：2021-04-28
• PHARMACEUTICAL COMPOSITIONS WITH A CDC7 INHIBITOR
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP3823599A1

  公开（公告）日：2021-05-26
• PROCESS FOR THE SYNTHESIS OF 2-[(2S)-1-AZABICYCLO[2.2.2]OCT-2-YL]-6-(3-METHYL-1H-PYRAZOL-4-YL)THIENO[3,2-d]PYRIMIDIN-4(3H)-ONE
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US20210101897A1

  公开（公告）日：2021-04-08

  The present invention provides processes and synthetic intermediates for the synthesis of 2-[(2S)-1-azabicyclo[2.2.2]oct-2-yl]-6-(3-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4 (3H)-one or a salt, hydrate, or tautomer thereof, or any combination thereof, which are Cdc7 kinase inhibitors, and are useful for the treatment of disorders of cell proliferation, particularly cancer, and other disorders associated with Cdc7 activity.