(4-(4-((4-(Naphthalen-2-ylsulfonyl)piperazin-1-yl)methyl)piperidin-1-yl)phenyl)methanamine | 896735-46-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (4-(4-((4-(Naphthalen-2-ylsulfonyl)piperazin-1-yl)methyl)piperidin-1-yl)phenyl)methanamine
• 英文别名: [4-[4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]piperidin-1-yl]phenyl]methanamine
• CAS: 896735-46-9
• 化学式: C₂₇H₃₄N₄O₂S
• 分子量: 478.659
• InChiKey: UDBIERVVNVYSDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  78.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 生成 (4-(4-((4-(Naphthalen-2-ylsulfonyl)piperazin-1-yl)methyl)piperidin-1-yl)phenyl)methanamine
  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