2-((S)-1-[1,4]dioxan-2-ylmethoxy)-9-(3-hydroxy-4-methyl-pent-1-ynyl)-6,7-dihydro-pyrimido[6,1-a]isoquinolin-4-one | 1445848-05-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2-((S)-1-[1,4]dioxan-2-ylmethoxy)-9-(3-hydroxy-4-methyl-pent-1-ynyl)-6,7-dihydro-pyrimido[6,1-a]isoquinolin-4-one
• 英文别名: 2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-(3-hydroxy-4-methylpent-1-ynyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
• CAS: 1445848-05-4
• 化学式: C₂₃H₂₆N₂O₅
• 分子量: 410.47
• InChiKey: FQYOAZIPVGMPMX-YMXDCFFPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  80.6
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS.
  申请人：GALAPAGOS NV

  公开号：US20130165437A1

  公开（公告）日：2013-06-27

  A compound according to Formula Ia: wherein L 1 , G, and R 1 are as described herein. The present invention relates to novel compounds according to Formula I that antagonize GPR84, a G-protein-coupled receptor that is involved in inflammatory conditions, and methods for the production of these novel compounds, pharmaceutical compositions comprising these compounds, and methods for the prevention and/or treatment of inflammatory conditions (for example inflammatory bowel diseases (IBD), rheumatoid arthritis, vasculitis, lung diseases (e.g. chronic obstructive pulmonary disease (COPD) and lung interstitial diseases (e.g. idiopathic pulmonary fibrosis (IPF))), neuroinflammatory conditions, infectious diseases, autoimmune diseases, endocrine and/or metabolic diseases, and/or diseases involving impairment of immune cell functions by administering a compound of the invention.

  根据以下公式Ia的化合物： 其中L1、G和R1如本文所述。 本发明涉及根据公式I的新化合物，这些化合物对抗GPR84，G蛋白偶联受体，该受体参与炎症病症，以及这些新化合物的生产方法，包含这些化合物的药物组合物，以及通过给予本发明的化合物来预防和/或治疗炎症病症（例如炎症性肠病（IBD）、类风湿关节炎、血管炎、肺部疾病（例如慢性阻塞性肺病（COPD）和肺间质疾病（例如特发性肺纤维化（IPF）））、神经炎症病症、传染病、自身免疫疾病、内分泌和/或代谢疾病，以及/或通过给予本发明的化合物导致免疫细胞功能受损的疾病。
• Dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders
  申请人：GALAPAGOS NV

  公开号：US11220499B2

  公开（公告）日：2022-01-11

  A compound according to Formula Ia: wherein L1, G, and R1 are as described herein. The present invention relates to novel compounds according to Formula I that antagonize GPR84, a G-protein-coupled receptor that is involved in inflammatory conditions, and methods for the production of these novel compounds, pharmaceutical compositions comprising these compounds, and methods for the prevention and/or treatment of inflammatory conditions (for example inflammatory bowel diseases (IBD), rheumatoid arthritis, vasculitis, lung diseases (e.g. chronic obstructive pulmonary disease (COPD) and lung interstitial diseases (e.g. idiopathic pulmonary fibrosis (IPF))), neuroinflammatory conditions, infectious diseases, autoimmune diseases, endocrine and/or metabolic diseases, and/or diseases involving impairment of immune cell functions by administering a compound of the invention.

  符合式 Ia 的化合物： 其中 L1、G 和 R1 如本文所述。 本发明涉及根据式 I 可拮抗参与炎症的 G 蛋白偶联受体 GPR84 的新型化合物、生产这些新型化合物的方法、包含这些化合物的药物组合物以及预防和/或治疗炎症（例如炎症性肠病 (IBD)、类风湿性关节炎、血管炎、肺部疾病（如慢性阻塞性肺病 (COPD) 和肺间质疾病（如特发性肺纤维化 (IPF)））的方法。如慢性阻塞性肺病（COPD）和肺间质疾病（如特发性肺纤维化（IPF）））、神经炎症、感染性疾病、自身免疫性疾病、内分泌和/或代谢性疾病和/或涉及免疫细胞功能损害的疾病。
• NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS
  申请人：Galapagos NV

  公开号：EP2794604B1

  公开（公告）日：2017-09-13
• DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF MULTIPLE SCLEROSIS
  申请人：Galapagos N.V.

  公开号：EP3378862B1

  公开（公告）日：2022-03-16
• US8927543B2
  申请人：——

  公开号：US8927543B2

  公开（公告）日：2015-01-06