N-(6-(5-(dimethylamino)-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl)-2-(4-methylpiperazin-1-yl)isonicotinamide

• 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: N-(6-(5-(dimethylamino)-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl)-2-(4-methylpiperazin-1-yl)isonicotinamide
• 英文别名: N-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
• 化学式: C₂₄H₂₆N₈OS
• 分子量: 474.589
• InChiKey: NSHUPZQKCAZXNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  119
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-(6-bromo-3-isoquinolyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 水 、 lithium hydroxide 、 三氯氧磷 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 63.0h， 生成 N-(6-(5-(dimethylamino)-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl)-2-(4-methylpiperazin-1-yl)isonicotinamide
  参考文献：
  名称：

  ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF

  摘要：

  揭示了用于治疗各种疾病和病理的异喹啉化合物。更具体地，本发明涉及使用异喹啉化合物或其类似物治疗由Wnt途径信号激活所特征的疾病（例如癌症、异常细胞增殖、血管生成、纤维化疾病、骨骼或软骨疾病和骨关节炎），调节由Wnt途径信号介导的细胞事件，以及由于Wnt途径和/或一个或多个Wnt信号组分的突变或失调而导致的遗传疾病和神经病理条件/障碍/疾病。还提供了治疗与Wnt相关疾病状态的方法。

  公开号：

  US20170313682A1

文献信息

• ISOQUINOLIN-3-YL CARBOXAMIDES AS WNT INHIBITORS
  申请人：BioSplice Therapeutics, Inc.

  公开号：EP3892276A1

  公开（公告）日：2021-10-13

  Isoquinoline compounds of formula I for treating various diseases and pathologies are disclosed. More particularly, the present invention concerns an isoquinoline compound thereof, for use in the treatment of disorders characterized by the activation of Wnt pathway signaling (e.g., cancer, abnormal cellular proliferation, angiogenesis, fibrotic disorders, bone or cartilage diseases, and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, as well as genetic diseases and neurological conditions/disorders/diseases due to mutations or dysregulation of the Wnt pathway and/or of one or more of Wnt signaling components. Also provided are methods for treating Wnt-related disease states.

  本发明公开了用于治疗各种疾病和病理的式 I 异喹啉化合物。更具体地说，本发明涉及一种异喹啉化合物，用于治疗以 Wnt 通路信号激活为特征的疾病（如癌症、异常细胞增殖、血管生成、纤维化疾病、骨或软骨疾病以及骨关节病）、癌症、异常细胞增殖、血管生成、纤维化疾病、骨或软骨疾病和骨关节炎）、调节由 Wnt 通路信号介导的细胞事件，以及由于 Wnt 通路和/或一种或多种 Wnt 信号成分的突变或失调引起的遗传疾病和神经状况/失调/疾病。此外，还提供了治疗 Wnt 相关疾病状态的方法。
• Isoquinolin-3-yl carboxamides and preparation and use thereof
  申请人：Samumed, LLC

  公开号：US10100038B2

  公开（公告）日：2018-10-16

  Isoquinoline compounds for treating various diseases and pathologies are disclosed. More particularly, the present invention concerns the use of an isoquinoline compound or analogs thereof, in the treatment of disorders characterized by the activation of Wnt pathway signaling (e.g., cancer, abnormal cellular proliferation, angiogenesis, fibrotic disorders, bone or cartilage diseases, and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, as well as genetic diseases and neurological conditions/disorders/diseases due to mutations or dysregulation of the Wnt pathway and/or of one or more of Wnt signaling components. Also provided are methods for treating Wnt-related disease states.

  本发明公开了用于治疗各种疾病和病理的异喹啉化合物。更具体地说，本发明涉及异喹啉化合物或其类似物在治疗以 Wnt 通路信号激活为特征的疾病（如癌症、异常细胞增殖、血管生成、纤维化疾病、骨或软骨疾病以及骨关节炎）中的用途、癌症、异常细胞增殖、血管生成、纤维化疾病、骨或软骨疾病和骨关节炎）、Wnt 通路信号介导的细胞事件的调节，以及由于 Wnt 通路和/或一种或多种 Wnt 信号元件的突变或失调引起的遗传疾病和神经系统疾病/失调/疾病。此外，还提供了治疗 Wnt 相关疾病状态的方法。
• Isoquinolin-3-YL carboxamides and preparation and use thereof
  申请人：Samumed, LLC

  公开号：US10947217B2

  公开（公告）日：2021-03-16

  Isoquinoline compounds for treating various diseases and pathologies are disclosed. More particularly, the present invention concerns the use of an isoquinoline compound or analogs thereof, in the treatment of disorders characterized by the activation of Wnt pathway signaling (e.g., cancer, abnormal cellular proliferation, angiogenesis, fibrotic disorders, bone or cartilage diseases, and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, as well as genetic diseases and neurological conditions/disorders/diseases due to mutations or dysregulation of the Wnt pathway and/or of one or more of Wnt signaling components. Also provided are methods for treating Wnt-related disease states.

  本发明公开了用于治疗各种疾病和病理的异喹啉化合物。更具体地说，本发明涉及异喹啉化合物或其类似物在治疗以 Wnt 通路信号激活为特征的疾病（如癌症、异常细胞增殖、血管生成、纤维化疾病、骨或软骨疾病以及骨关节炎）中的用途、癌症、异常细胞增殖、血管生成、纤维化疾病、骨或软骨疾病和骨关节炎）、Wnt 通路信号介导的细胞事件的调节，以及由于 Wnt 通路和/或一种或多种 Wnt 信号元件的突变或失调引起的遗传疾病和神经系统疾病/失调/疾病。此外，还提供了治疗 Wnt 相关疾病状态的方法。
• EP3448386B1
  申请人：——

  公开号：EP3448386B1

  公开（公告）日：2021-03-03
• METHODS OF TREATING CANCER USING A CLK INHIBITOR
  申请人：BioSplice Therapeutics, Inc.

  公开号：US20220062240A1

  公开（公告）日：2022-03-03

  Provided herein are methods of treating a cancer in a subject using a CLK inhibitor or pharmaceutically acceptable salt or solvate thereof.