3-异喹啉羧酰胺 | 50458-77-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 异喹啉类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 中文名称: 3-异喹啉羧酰胺
• 英文名称: 3-isoquinaldamide
• 英文别名: Isochinolin-3-carbonsaeure-amid；isoquinoline-3(S)-carboxamide；isoquinoline-3-carboxamide；3-isoquinolinecarboxamide；isoquinoline-3-carboxylic acid amide
• CAS: 50458-77-0
• 化学式: C₁₀H₈N₂O
• 分子量: 172.186
• InChiKey: KKSZSACCVDIWIE-UHFFFAOYSA-N

物化性质

• 熔点：
  213 °C
• 沸点：
  440.9±18.0 °C(Predicted)
• 密度：
  1.270±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933499090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  3-异喹啉羧酰胺 在 乙醚 、 三氯氧磷 作用下， 生成 4-ethoxy-1-[3]isoquinolyl-butan-1-one
  参考文献：
  名称：

  412.育亨宾和相关生物碱的组成。第十一部分。sempervirine的合成

  摘要：

  DOI：

  10.1039/jr9580002038
• 作为产物：
  描述：

  1,2,3,4-四氢异喹啉-3-羧酸甲酯 在 palladium on activated charcoal 、 氨 作用下， 以 xylene 为溶剂， 生成 3-异喹啉羧酰胺
  参考文献：
  名称：

  Langry, Kevin C., Organic Preparations and Procedures International, 1994, vol. 26, # 4, p. 429 - 438

  摘要：

  DOI：

文献信息

• Proteasome inhibitors and methods of using the same
  申请人：Bernardini Raffaella

  公开号：US20060189806A1

  公开（公告）日：2006-08-24

  The present invention provides boronic acid compounds, boronic esters, and compositions thereof that can modulate apoptosis such as by inhibition of proteasome activity. The compounds and compositions can be used in methods of inducing apoptosis and treating diseases such as cancer and other disorders associated directly or indirectly with proteasome activity.

  本发明提供了硼酸化合物、硼酸酯及其组合物，可以调节细胞凋亡，例如通过抑制蛋白酶体活性。这些化合物和组合物可用于诱导细胞凋亡和治疗癌症等疾病，以及与蛋白酶体活性直接或间接相关的其他疾病。
• NOVEL ORGANIC METAL COMPLEX AND PROCESS FOR PREPARING AMINE COMPOUND
  申请人：Watanabe Masahito

  公开号：US20100234596A1

  公开（公告）日：2010-09-16

  [Problem] The present invention aims to provide a novel organometallic compound that can be used as a general-use highly active catalyst with superior selectivity for functional groups. [Means for Solving Problem] The present invention relates to an organometallic compound having a novel specific structure of general formula (1): and to a general-use highly active catalyst used in reductive amination reaction with superior selectivity for functional groups that comprises said organometallic compound, and to a process for preparing amine compounds by reductive amination reaction using said catalyst.

  [问题] 本发明旨在提供一种新型有机金属化合物，可用作具有对官能团具有优越选择性的通用高活性催化剂。 [解决问题的方法] 本发明涉及一种具有通用式（1）的新型特定结构的有机金属化合物： 以及一种通用高活性催化剂，用于还原胺化反应，具有对官能团具有优越选择性，包括所述有机金属化合物，并且涉及使用该催化剂通过还原胺化反应制备胺化合物的方法。
• 6-(6-MEMBERED HETEROARYL & ARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF
  申请人：Samumed, LLC

  公开号：US20190125740A1

  公开（公告）日：2019-05-02

  Isoquinoline compounds for treating various diseases and pathologies are disclosed. More particularly, the present disclosure 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, Alzheimer's disease, lung disease, inflammation, auto-immune diseases and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, as well as neurological conditions/disorders/diseases linked to overexpression of DYRK1A.

  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，本公开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、阿尔茨海默病、肺部疾病、炎症、自身免疫疾病和骨关节炎），调节由Wnt途径信号介导的细胞事件，以及与DYRK1A过表达相关的神经状况/疾病/疾病。
• ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF
  申请人：Samumed, LLC

  公开号：US20170313681A1

  公开（公告）日：2017-11-02

  Isoquinoline compounds for treating various diseases and pathologies are disclosed. More particularly, the present disclosure 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, Alzheimer's disease, lung disease, inflammation, auto-immune diseases and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, as well as neurological conditions/disorders/diseases linked to overexpression of DYRK1A.

  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，本公开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、阿尔茨海默病、肺部疾病、炎症、自身免疫疾病和骨关节炎），以及通过Wnt途径信号介导的细胞事件的调节，以及与DYRK1A过表达相关的神经状况/疾病/疾病。
• 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF
  申请人：Samumed, LLC

  公开号：US20190119263A1

  公开（公告）日：2019-04-25

  Isoquinoline compounds for treating various diseases and pathologies are disclosed. More particularly, the present disclosure 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, Alzheimer's disease, lung disease, inflammation, auto-immune diseases and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, as well as neurological conditions/disorders/diseases linked to overexpression of DYRK1A.

  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，本公开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化的疾病（例如癌症、异常细胞增殖、血管生成、阿尔茨海默病、肺部疾病、炎症、自身免疫疾病和骨关节炎），以及通过Wnt途径信号介导的细胞事件的调节，以及与DYRK1A过表达相关的神经状况/疾病/疾病。