5-chloro-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide | 1006377-40-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5-chloro-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide
• CAS: 1006377-40-7
• 化学式: C₁₄H₁₁ClN₂O₂S₂
• 分子量: 338.839
• InChiKey: HVGRDFGKUZFICE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  95.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  8-氨基喹哪啶 、 5-氯噻唑-2-磺酰氯 在 吡啶 作用下， 反应 24.0h， 生成 5-chloro-N-(2-methylquinolin-8-yl)thiophene-2-sulfonamide
  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