9-methoxy-3-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide | 1006377-53-2

• 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: 9-methoxy-3-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
• CAS: 1006377-53-2
• 化学式: C₁₇H₁₄N₂O₃S
• 分子量: 326.376
• InChiKey: CJMJVNINRKQIFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  76.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  CU-278 在 亚硝酸特丁酯 、 溶剂黄146 作用下， 反应 0.17h， 生成 9-methoxy-3-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
  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

• 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.