tert-butyl 4-(1-phenyl-1H-1,2,4-triazol-3-ylamino)piperidine-1-carboxylate | 1189117-27-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tert-butyl 4-(1-phenyl-1H-1,2,4-triazol-3-ylamino)piperidine-1-carboxylate
• 英文别名: Tert-butyl 4-[(1-phenyl-1,2,4-triazol-3-yl)amino]piperidine-1-carboxylate
• CAS: 1189117-27-8
• 化学式: C₁₈H₂₅N₅O₂
• 分子量: 343.429
• InChiKey: WWZOBVYLFXMXTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  72.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  C₁₇H₂₇N₅O₂ 、 原甲酸三甲酯 以66 mg的产率得到tert-butyl 4-(1-phenyl-1H-1,2,4-triazol-3-ylamino)piperidine-1-carboxylate
  参考文献：
  名称：

  Efficient Methodology for the Synthesis of 3-Amino-1,2,4-triazoles

  摘要：

  A general and efficient method for the preparation of 3-amino-1,2,4-triazoles has been developed. The desired 3-amino-1,2,4-triazoles (1) were prepared in good overall yield via two convergent routes. The key intermediate within both routes is substituted hydrazinecarboximidamide derivative 2.

  DOI：

  10.1021/jo9016502

文献信息

• [EN] ARYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN<br/>[FR] DÉRIVÉS D'ARYLAMIDE AYANT UNE ACTIVITÉ MULTIMODALE CONTRE LA DOULEUR
  申请人：ESTEVE LABOR DR

  公开号：WO2017178510A1

  公开（公告）日：2017-10-19

  The present invention relates to arylamide derivatives having dual pharmacological activity towards both the α2δ subunit, in particular the α2δ-1 subunit,of the voltage-gated calcium channel and the µ-opioid receptor, to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use in therapy, in particular for the treatment of pain.

  本发明涉及对芳基酰胺衍生物具有双重药理活性，既作用于电压门控钙通道的α2δ亚基，特别是α2δ-1亚基，又作用于µ-阿片受体，以及制备这类化合物的方法，包括它们的药物组合物，以及它们在治疗中的应用，特别是用于疼痛治疗。
• Arylamide derivatives having multimodal activity against pain
  申请人：ESTEVE PHARMACEUTICALS, S.A.

  公开号：US10577360B2

  公开（公告）日：2020-03-03

  The present invention relates to arylamide derivatives having dual pharmacological activity towards both the α2δ subunit, in particular the α2δ-1 subunit, of the voltage-gated calcium channel and the μ-opioid receptor, to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use in therapy, in particular for the treatment of pain.

  本发明涉及对电压门控钙通道的α2δ亚基（尤其是α2δ-1亚基）和μ-阿片受体具有双重药理活性的芳酰胺衍生物，涉及此类化合物的制备工艺，涉及含有此类化合物的药物组合物，还涉及此类化合物在治疗中的用途，尤其是用于治疗疼痛。
• ARYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN
  申请人：ESTEVE PHARMACEUTICALS , S.A.

  公开号：US20190127357A1

  公开（公告）日：2019-05-02

  The present invention relates to arylamide derivatives having dual pharmacological activity towards both the α2δ subunit, in particular the α2δ-1 subunit, of the voltage-gated calcium channel and the μ-opioid receptor, to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use in therapy, in particular for the treatment of pain.