N-(2-((1-(4-(aminomethyl)phenyl)piperidin-4-yl)methylamino)ethyl)naphthalene-2-sulfonamide | 896735-47-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-(2-((1-(4-(aminomethyl)phenyl)piperidin-4-yl)methylamino)ethyl)naphthalene-2-sulfonamide
• 英文别名: N-[2-[[1-[4-(aminomethyl)phenyl]piperidin-4-yl]methylamino]ethyl]naphthalene-2-sulfonamide
• CAS: 896735-47-0
• 化学式: C₂₅H₃₂N₄O₂S
• 分子量: 452.621
• InChiKey: DSRLONQJJSLFPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  95.8
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 生成 N-(2-((1-(4-(aminomethyl)phenyl)piperidin-4-yl)methylamino)ethyl)naphthalene-2-sulfonamide
  参考文献：
  名称：

  Synthesis and evaluation of 4-substituted benzylamine derivatives as β-tryptase inhibitors

  摘要：

  Since P-tryptase is considered a critical mediator of asthma, potent tryptase inhibitors may be useful as new agents for the treatment of asthma. We investigated 4-substituted benzylamine derivatives and obtained M58539 (15h) as a potent inhibitor of beta-tryptase (IC50 = 5.0 nM) with high selectivity against other serine proteases, low molecular weight, clog P value less than 5, lack of amidino and guanidino groups, and independence of Zn2+ ion. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.064