CU-282 | 1006377-54-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: CU-282
• 英文别名: 3-methyl-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
• CAS: 1006377-54-3
• 化学式: C₁₇H₁₁F₃N₂O₂S
• 分子量: 364.348
• InChiKey: MXKZFNJSAXLWNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  67.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  CU-281 在 亚硝酸特丁酯 、 溶剂黄146 作用下， 反应 0.17h， 生成 CU-282
  参考文献：
  名称：

  Identification of N-(quinolin-8-yl)benzenesulfonamides as agents capable of down-regulating NFκB activity within two separate high-throughput screens of NFκB activation

  摘要：

  We describe here a series of N-(quinolin-8-yl)benzenesulfonamides capable of suppressing the NF kappa B pathway identified from two high-throughput screens run at two centers of the NIH Molecular Libraries Initiative. These small molecules were confirmed in both primary and secondary assays of NF kappa B activation and expanded upon through analogue synthesis. The series exhibited potencies in the cell-based assays at as low as 0.6 mu M, and several indications suggest that the targeted activity lies within a common region of the NF kappa B pathway. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.100

文献信息

• COMPOUNDS THAT INHIBIT NFKB AND BACE1 ACTIVITY
  申请人：Landry Donald W.

  公开号：US20120064099A1

  公开（公告）日：2012-03-15

  The present invention relates to compounds with activity as BACE1 and NFκB modulators, and methods for treating, preventing, or ameliorating neurodegenerative diseases, such as Alzheimer's disease. The present invention is also directed to the treatment of diseases related to dysfunction of cell proliferation, the immune system and/or inflammation using such compounds or pharmaceutical compositions containing such candidate compounds.

  本发明涉及具有BACE1和NFκB调节剂活性的化合物，以及治疗、预防或改善神经退行性疾病（如阿尔茨海默病）的方法。本发明还涉及使用这些化合物或含有这些候选化合物的药物组合物治疗与细胞增殖功能障碍、免疫系统和/或炎症相关的疾病。
• US20140275165A1
  申请人：——

  公开号：US20140275165A1

  公开（公告）日：2014-09-18
• Identification of N-(quinolin-8-yl)benzenesulfonamides as agents capable of down-regulating NFκB activity within two separate high-throughput screens of NFκB activation
  作者：Yuli Xie、ShiXian Deng、Craig J. Thomas、Yidong Liu、Ya-Qin Zhang、Alison Rinderspacher、Wenwei Huang、Gangli Gong、Michael Wyler、Efithia Cayanis、Nathalie Aulner、Udo Többen、Caty Chung、Sergey Pampou、Noel Southall、Dušica Vidović、Stephan Schürer、Lars Branden、R. Eric Davis、Louis M. Staudt、James Inglese、Christopher P. Austin、Donald W. Landry、Deborah H. Smith、Douglas S. Auld

  DOI：10.1016/j.bmcl.2007.10.100

  日期：2008.1

  We describe here a series of N-(quinolin-8-yl)benzenesulfonamides capable of suppressing the NF kappa B pathway identified from two high-throughput screens run at two centers of the NIH Molecular Libraries Initiative. These small molecules were confirmed in both primary and secondary assays of NF kappa B activation and expanded upon through analogue synthesis. The series exhibited potencies in the cell-based assays at as low as 0.6 mu M, and several indications suggest that the targeted activity lies within a common region of the NF kappa B pathway. (C) 2007 Elsevier Ltd. All rights reserved.