1-{4-[4-carbamoyl-2-(naphthalen-2-ylamino)thiazol-5-ylcarbamoyl]benzyl}pyridinium chloride

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-{4-[4-carbamoyl-2-(naphthalen-2-ylamino)thiazol-5-ylcarbamoyl]benzyl}pyridinium chloride
• 英文别名: 1-{4-[4-Carbamoyl-2-(naphthalen-2-ylamino)thiazol-5-ylcarbamoyl]benzyl}pyridinium chloride；2-(naphthalen-2-ylamino)-5-[[4-(pyridin-1-ium-1-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide;chloride
• 化学式: C₂₇H₂₂N₅O₂S*Cl
• 分子量: 516.023
• InChiKey: IZXDADHYZHXAIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.73
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  129
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-萘基异硫氰酸酯 在 4-二甲氨基吡啶 作用下， 以 乙酸乙酯 为溶剂， 反应 16.5h， 生成 1-{4-[4-carbamoyl-2-(naphthalen-2-ylamino)thiazol-5-ylcarbamoyl]benzyl}pyridinium chloride
  参考文献：
  名称：

  NOVEL BICYCLIC THIAZOLE COMPOUNDS

  摘要：

  本发明涉及一种新型的双环噻唑化合物，可以抑制Traf2和Nck相互作用激酶(TNIK)，因此可作为TNIK抑制剂用于治疗癌症患者，特别是固体癌症患者，如结肠癌、胰腺癌、非小细胞肺癌、前列腺癌或乳腺癌。这些双环噻唑化合物由下式(I)表示（其中R1、R2、R3和Q如规范中所定义），或其药学上可接受的盐。

  公开号：

  US20130317218A1

文献信息

• Bicyclic thiazole compounds
  申请人：CARNA BIOSCIENCES INC.

  公开号：US09102637B2

  公开（公告）日：2015-08-11

  The present invention relates to novel bicyclic thiazole compounds that inhibit Traf2- and Nck-interacting kinase (TNIK), and as such are useful as TNIK inhibitors administered to cancer patients, especially to solid cancer patients such as colorectal cancer, pancreatic cancer, non-small cell lung cancer, prostate cancer or breast cancer. The bicyclic thiazole compounds are showed by a next formula (I). (wherein R1, R2, R3 and Q are as defined in the specification), or a pharmaceutically acceptable salt thereof.

  本发明涉及新型双环噻唑化合物，其抑制Traf2和Nck相互作用激酶（TNIK），因此可作为TNIK抑制剂用于治疗癌症患者，尤其是实体癌症患者，如结肠癌、胰腺癌、非小细胞肺癌、前列腺癌或乳腺癌。双环噻唑化合物由下式（I）表示（其中R1、R2、R3和Q如规范中所定义），或其药学上可接受的盐。
• US9102637B2
  申请人：——

  公开号：US9102637B2

  公开（公告）日：2015-08-11
• [EN] NOVEL BICYCLIC THIAZOLE COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS THIAZOLES BICYCLIQUES
  申请人：CARNA BIOSCIENCES INC

  公开号：WO2013176293A1

  公开（公告）日：2013-11-28

  The present invention relates to novel bicyclic thiazole compounds that inhibit Traf2- and Nck-interacting kinase (TNIK), and as such are useful as TNIK inhibitors administered to cancer patients, especially to solid cancer patients such as colorectal cancer, pancreatic cancer, non-small cell lung cancer, prostate cancer or breast cancer. The bicyclic thiazole compounds are showed by a next formula (I). (wherein R1, R2, R3 and Q are as defined in the specification), or a pharmaceutically acceptable salt thereof.
• NOVEL BICYCLIC THIAZOLE COMPOUNDS
  申请人：Sawa Masaaki

  公开号：US20130317218A1

  公开（公告）日：2013-11-28

  The present invention relates to novel bicyclic thiazole compounds that inhibit Traf2- and Nck-interacting kinase (TNIK), and as such are useful as TNIK inhibitors administered to cancer patients, especially to solid cancer patients such as colorectal cancer, pancreatic cancer, non-small cell lung cancer, prostate cancer or breast cancer. The bicyclic thiazole compounds are showed by a next formula (I). (wherein R 1 , R 2 , R 3 and Q are as defined in the specification), or a pharmaceutically acceptable salt thereof.

  本发明涉及一种新型的双环噻唑化合物，可以抑制Traf2和Nck相互作用激酶(TNIK)，因此可作为TNIK抑制剂用于治疗癌症患者，特别是固体癌症患者，如结肠癌、胰腺癌、非小细胞肺癌、前列腺癌或乳腺癌。这些双环噻唑化合物由下式(I)表示（其中R1、R2、R3和Q如规范中所定义），或其药学上可接受的盐。