Cambridge id 5267466 | 414887-57-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Cambridge id 5267466
• 英文别名: N,1-dimethyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine
• CAS: 414887-57-3
• 化学式: C₁₄H₂₁N₃O₂
• 分子量: 263.34
• InChiKey: PNBURNGHHRAYHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  52.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-甲基-4-(甲氨基)哌啶 、 邻硝基苯甲醛 在 吡啶硼烷 作用下， 生成 Cambridge id 5267466
  参考文献：
  名称：

  Discovery of a series of aminopiperidines as novel iNOS inhibitors

  摘要：

  Nitric oxide (NO), a mediator of various physiological and pathophysiological processes, is synthesized by three isozymes of nitric oxide synthase (NOS). Potential candidate clinical drugs should be devoid of inhibitory activity against endothelial NOS (eNOS), since eNOS plays an important role in maintaining normal blood pressure and flow. A new series of aminopiperidines as potent inhibitors of iNOS were identified from a HTS lead. From this study, we identified compound 33 as a potent iNOS inhibitor, with >25-fold selectivity over eNOS and 16-fold selectivity over nNOS. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.10.073

文献信息

• Discovery of a series of aminopiperidines as novel iNOS inhibitors
  作者：Bertrand Le Bourdonnec、Lara K. Leister、Christopher A. Ajello、Joel A. Cassel、Pamela R. Seida、Heather O’Hare、Minghua Gu、Guo-Hua Chu、Paul A. Tuthill、Robert N. DeHaven、Roland E. Dolle

  DOI：10.1016/j.bmcl.2007.10.073

  日期：2008.1

  Nitric oxide (NO), a mediator of various physiological and pathophysiological processes, is synthesized by three isozymes of nitric oxide synthase (NOS). Potential candidate clinical drugs should be devoid of inhibitory activity against endothelial NOS (eNOS), since eNOS plays an important role in maintaining normal blood pressure and flow. A new series of aminopiperidines as potent inhibitors of iNOS were identified from a HTS lead. From this study, we identified compound 33 as a potent iNOS inhibitor, with >25-fold selectivity over eNOS and 16-fold selectivity over nNOS. Published by Elsevier Ltd.