(S)-5-amino-3-(2-(4-(2,4-difluoro-5-(2-(methylsulfinyl)ethoxy)phenyl)piperazin-1-yl)ethyl)-8-(furan-2-yl)thiazolo[5,4-e][1,2,4]triazolo[1,5-c]pyrimidin-2(3H)-one | 2246607-08-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (S)-5-amino-3-(2-(4-(2,4-difluoro-5-(2-(methylsulfinyl)ethoxy)phenyl)piperazin-1-yl)ethyl)-8-(furan-2-yl)thiazolo[5,4-e][1,2,4]triazolo[1,5-c]pyrimidin-2(3H)-one
• 英文别名: inupadenant；7-amino-10-[2-[4-[2,4-difluoro-5-[2-[(S)-methylsulfinyl]ethoxy]phenyl]piperazin-1-yl]ethyl]-4-(furan-2-yl)-12-thia-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-11-one
• CAS: 2246607-08-7
• 化学式: C₂₅H₂₆F₂N₈O₄S₂
• 分子量: 604.661
• InChiKey: QYCCLUSYHJXDEX-RWYGWLOXSA-N

物化性质

• 密度：
  1.69±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  41
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  180
• 氢给体数：
  1
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  (S)-5-amino-3-(2-(4-(2,4-difluoro-5-(2-(methylsulfinyl)ethoxy)phenyl)piperazin-1-yl)ethyl)-8-(furan-2-yl)thiazolo[5,4-e][1,2,4]triazolo[1,5-c]pyrimidin-2(3H)-one 在 盐酸 作用下， 以 二甲基亚砜 为溶剂， 以94 %的产率得到inupadenant hydrochloride
  参考文献：
  名称：

  WO2023/59817

  摘要：

  公开号：

文献信息

• [EN] 2-OXO-THIAZOLE DERIVATIVES AS A2A INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS<br/>[FR] DÉRIVÉS DE 2-OXO-THIAZOLE EN TANT QU'INHIBITEURS DE A2A ET COMPOSÉS DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DE CANCERS
  申请人：ITEOS THERAPEUTICS

  公开号：WO2018178338A1

  公开（公告）日：2018-10-04

  The present invention relates to compounds of Formula (I) or pharmaceutically acceptable salts or solvates thereof. The invention further relates to the use of the compounds of Formula (I) as A2A inhibitors. The invention also relates to the use of the compounds of Formula (I) for the treatment and/or prevention of cancer. The invention also relates to a process for manufacturing compounds of Formula (I).

  本发明涉及式（I）的化合物或其药用可接受的盐或溶剂化合物。该发明进一步涉及将式（I）的化合物用作A2A抑制剂。该发明还涉及将式（I）的化合物用于治疗和/或预防癌症。该发明还涉及一种制造式（I）化合物的方法。
• 2-oxo-thiazole derivatives as A2A inhibitors and compounds for use in the treatment of cancers
  申请人：iTeos Therapeutics SA

  公开号：US10995101B2

  公开（公告）日：2021-05-04

  The present invention relates to compounds of Formula I or pharmaceutically acceptable salts or solvates thereof. The invention further relates to the use of the compounds of Formula I as A2A inhibitors. The invention also relates to the use of the compounds of Formula I for the treatment and/or prevention of cancer. The invention also relates to a process for manufacturing compounds of Formula I.

  本发明涉及式 I 的化合物 或其药学上可接受的盐或溶液。本发明进一步涉及式 I 化合物作为 A2A 抑制剂的用途。本发明还涉及式 I 化合物用于治疗和/或预防癌症的用途。本发明还涉及一种制造式I化合物的工艺。
• Thiocarbamate derivatives as A2A inhibitors, pharmaceutical composition thereof and combinations with anticancer agents
  申请人：iTeos Belgium SA

  公开号：US11376255B2

  公开（公告）日：2022-07-05

  The present invention relates to thiocarbamate derivatives of Formula (I) which are useful as A2A adenosine receptor (A2AR) inhibitors Especially, the present invention relates to a pharmaceutical composition comprising an A2A inhibitor of Formula (I) and a lipid carrier such as lauroyl macrogol-32 glycerides, D-α-tocopherol-polyethylene glycol-1000 succinate or a mixture thereof. The pharmaceutical composition of the invention is particularly useful for oral dosing in the treatment of cancers. The present invention also relates to a combination comprising an A2A receptor inhibitor of Formula (I) and an anticancer agent. The anticancer agent is for example an immunotherapeutic agent, such as a checkpoint inhibitor. The invention further relates to a pharmaceutical composition and a kit of parts comprising such combination. Additionally, the combination of the invention is particularly useful for the treatment and/or prevention of cancers.

  本发明涉及可用作 A2A 腺苷受体（A2AR）抑制剂的式 (I) 硫代氨基甲酸酯衍生物 特别是，本发明涉及一种药物组合物，该组合物包含式（I）的 A2A 抑制剂和脂质载体，例如月桂酰基大环醇-32 甘油酸酯、D-α-生育酚-聚乙二醇-1000 丁二酸酯或它们的混合物。本发明的药物组合物特别适用于治疗癌症的口服剂量。本发明还涉及一种由式（I）的 A2A 受体抑制剂和抗癌剂组成的组合物。抗癌剂例如是免疫治疗剂，如检查点抑制剂。本发明还涉及一种药物组合物和包含这种组合物的部件试剂盒。此外，本发明的组合物特别适用于治疗和/或预防癌症。
• 2-OXO-THIAZOLE DERIVATIVES AS A2A INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS
  申请人：Iteos Therapeutics

  公开号：EP3601296A1

  公开（公告）日：2020-02-05
• THIOCARBAMATE DERIVATIVES AS A2A INHIBITORS, PHARMACEUTICAL COMPOSITION THEREOF AND COMBINATIONS WITH ANTICANCER AGENTS
  申请人：iTeos Belgium SA

  公开号：EP3849558A1

  公开（公告）日：2021-07-21