Carbamic acid, [[4-(4-amino-1-piperidinyl)phenyl]methyl]-,1,1-dimethylethyl ester | 657404-29-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: Carbamic acid, [[4-(4-amino-1-piperidinyl)phenyl]methyl]-,1,1-dimethylethyl ester
• CAS: 657404-29-0
• 化学式: C₁₇H₂₇N₃O₂
• 分子量: 305.42
• InChiKey: AJQVAULGHNPURV-UHFFFAOYSA-N

物化性质

• 沸点：
  479.2±45.0 °C(Predicted)
• 密度：
  1.088±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.64
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  67.59
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-(2-naphthylsulphonyl)piperidine-4-carboxylic acid 、 Carbamic acid, [[4-(4-amino-1-piperidinyl)phenyl]methyl]-,1,1-dimethylethyl ester 在 WSC*HCl 作用下， 生成
  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
• 作为产物：
  描述：

  tert-butyl 4-(4-oxopiperidin-1-yl)benzylcarbamate 在 ammonium acetate 、 sodium cyanoborohydride 作用下， 生成 Carbamic acid, [[4-(4-amino-1-piperidinyl)phenyl]methyl]-,1,1-dimethylethyl ester
  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