4-(4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl)morpholin-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 4-(4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl)morpholin-3-one
• 英文别名: 4-[4-(Tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholin-3-one；4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholin-3-one
• 化学式: C₁₈H₁₅N₇O₂
• 分子量: 361.363
• InChiKey: PGCNQCUNXGVISA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  97.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-Chloro-tetrazolo[1,5-a]quinoxaline 、 4-(4-氨基苯基)吗啡啉-3-酮 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以13%的产率得到4-(4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl)morpholin-3-one
  参考文献：
  名称：

  Discovery of a Highly Selective Tankyrase Inhibitor Displaying Growth Inhibition Effects against a Diverse Range of Tumor Derived Cell Lines

  摘要：

  The availability of high quality probes for specific protein targets is fundamental to the investigation of their function and their validation as therapeutic targets. We report the utilization of a dedicated chemoproteomic assay platform combining affinity enrichment technology with high resolution protein mass spectrometry to the discovery of a novel nicotinamide isoster, the tetrazoloquinoxaline 41, a highly potent and selective tankyrase inhibitor. We also describe the use of 41 to investigate the biology of tankyrase, revealing the compound induced growth inhibition of a number of tumor derived cell lines, demonstrating the potential of tankyrase inhibitors in oncology.

  DOI：

  10.1021/acs.jmedchem.7b00137

文献信息

• [EN] TETRAZOLO QUINOXALINE DERIVATIVES AS TANKYRASE INHIBITORS<br/>[FR] DÉRIVÉS DE TÉTRAZOLO QUINOXALINE UTILISÉS COMME INHIBITEURS DE LA TANKYRASE
  申请人：CELLZOME GMBH

  公开号：WO2014045101A1

  公开（公告）日：2014-03-27

  The present invention relates to compounds of formula (I), wherein X, R1, y and R 2have the meaning as cited in the description and the claims. Said compounds are useful as tankyrase inhibitors for the treatment or prophylaxis of immunological, inflammatory, autoimmune, allergic disorders or diseases, proliferative diseases, neurodegenerative diseases, fibrosis or for inducing cardiomyogenesis. The invention also relates to pharmaceutical compositions including said compounds as well as the use as medicaments.