tert-butyl 4-(4-hydroxypiperidin-1-yl)benzylcarbamate | 871013-48-8

• 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: tert-butyl 4-(4-hydroxypiperidin-1-yl)benzylcarbamate
• 英文别名: tert-butylN-{[4-(4-hydroxypiperidin-1-yl)phenyl]methyl}carbamate；tert-butyl N-[[4-(4-hydroxypiperidin-1-yl)phenyl]methyl]carbamate
• CAS: 871013-48-8
• 化学式: C₁₇H₂₆N₂O₃
• 分子量: 306.405
• InChiKey: PEIVOOBWZIXWPU-UHFFFAOYSA-N

物化性质

• 沸点：
  494.6±45.0 °C(Predicted)
• 密度：
  1.135±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 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：
  61.8
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(4-hydroxypiperidin-1-yl)benzylcarbamate 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 生成 tert-butyl 4-(4-oxopiperidin-1-yl)benzylcarbamate
  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：

  4-(4-羟基-1-哌啶)-苯甲腈 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 反应 32.0h， 生成 tert-butyl 4-(4-hydroxypiperidin-1-yl)benzylcarbamate
  参考文献：
  名称：

  [EN] TYK2 DEGRADERS AND USES THEREOF
  [FR] AGENTS DE DÉGRADATION DE TYK2 ET LEURS UTILISATIONS

  摘要：

  The present invention provides compounds, compositions thereof, and methods of using the same. Compounds and compositions thereof that are useful, for example, for targeting, inhibiting, and/or degrading TYK2. In certain embodiments, provided are TYK2 inhibitors and/or degraders and methods of making same. More specifically, TYK2 degraders, compositions which comprise TYK2 degraders, and methods of treating TYK2-associated conditions are provided.

  公开号：

  WO2023076161A1