N-[2-[2-[2-[2-[3-[4-[(E)-5-methyl-4-oxohex-2-enyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 生物素及其衍生物
• 英文名称: N-[2-[2-[2-[2-[3-[4-[(E)-5-methyl-4-oxohex-2-enyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamide
• 化学式: C₃₂H₅₅N₅O₈S
• 分子量: 669.9
• InChiKey: MOWCMLUWRVZUHI-LMXRDQSSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  46
• 可旋转键数：
  24
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  173
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• Compositions and Methods for the Production of Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity
  申请人：Hodous Brian L.

  公开号：US20140162983A1

  公开（公告）日：2014-06-12

  The present invention provides novel pyrimidine and pyridine compounds according to Formula (I), Formula (II), Formula (III), Formula (IV) and Formula (V) their manufacture and use for the treatment of hyperproliferative diseases including, but not limited to, cancer, lupus, allergic disorders, Sjogren's disease and rheumatoid arthritis. In preferred embodiments, the present invention describes irreversible kinase inhibitors including, but not limited to, inhibitors of Bruton's tyrosine kinase.

  本发明提供了新型嘧啶和吡啶化合物，其符合公式（I），公式（II），公式（III），公式（IV）和公式（V），以及它们的制备和用于治疗高增殖性疾病，包括但不限于癌症，狼疮，过敏性疾病，Sjogren's病和类风湿性关节炎。在优选实施例中，本发明描述了不可逆激酶抑制剂，包括但不限于布鲁顿酪氨酸激酶抑制剂。
• COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY
  申请人：Merck Patent GmbH

  公开号：US20150259363A1

  公开（公告）日：2015-09-17

  The present invention provides novel pyrimidine and pyridine compounds according to Formula (I), Formula (II), Formula (III), Formula (IV) and Formula (V) their manufacture and use for the treatment of hyperproliferative diseases including, but not limited to, cancer, lupus, allergic disorders, Sjogren's disease and rheumatoid arthritis. In preferred embodiments, the present invention describes irreversible kinase inhibitors including, but not limited to, inhibitors of Bruton's tyrosine kinase.

  本发明提供了新的嘧啶和吡啶化合物，包括式(I)、式(II)、式(III)、式(IV)和式(V)，以及它们的制备和用于治疗高增殖性疾病，包括但不限于癌症、狼疮、过敏性疾病、干燥综合症和类风湿性关节炎。在优选实施例中，本发明描述了不可逆激酶抑制剂，包括但不限于布鲁顿酪氨酸激酶抑制剂。
• Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity
  申请人：Merck Patent GmbH

  公开号：US10016448B2

  公开（公告）日：2018-07-10

  The present invention provides novel pyrimidine and pyridine compounds according to Formula (I), Formula (II), Formula (III), Formula (IV) and Formula (V) their manufacture and use for the treatment of hyperproliferative diseases including, but not limited to, cancer, lupus, allergic disorders, Sjogren's disease and rheumatoid arthritis. In preferred embodiments, the present invention describes irreversible kinase inhibitors including, but not limited to, inhibitors of Bruton's tyrosine kinase.

  本发明提供了根据式(I)、式(II)、式(III)、式(IV)和式(V)制造和使用的新型嘧啶和吡啶化合物，用于治疗过度增殖性疾病，包括但不限于癌症、狼疮、过敏性疾病、Sjogren病和类风湿性关节炎。在优选的实施方案中，本发明描述了不可逆激酶抑制剂，包括但不限于布鲁顿酪氨酸激酶抑制剂。
• Methods for treating MS using pyrimidine and pyridine compounds with BTK inhibitory activity
  申请人：Merck Patent GmbH

  公开号：US10716788B2

  公开（公告）日：2020-07-21

  The present invention provides methods of treating MS using pyrimidine and pyridine compounds which are inhibitors of Bruton's tyrosine kinase (BTK).

  本发明提供了使用作为布鲁顿酪氨酸激酶（BTK）抑制剂的嘧啶和吡啶化合物治疗多发性硬化症的方法。
• Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity
  申请人：Merck Patent GmbH

  公开号：US20170119766A1

  公开（公告）日：2017-05-04

  The present invention provides methods of treating cancer using pyrimidine and pyridine compounds which are inhibitors of Bruton's tyrosine kinase (BTK).