N-Methyl-N-(propan-2-YL)piperidine-4-carboxamide | 1016733-32-6

• 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: N-Methyl-N-(propan-2-YL)piperidine-4-carboxamide
• 英文别名: N-methyl-N-propan-2-ylpiperidine-4-carboxamide
• CAS: 1016733-32-6
• 化学式: C₁₀H₂₀N₂O
• mdl: MFCD09813494
• 分子量: 184.282
• InChiKey: QMYFFOVYQNMFKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  三光气 、 、 N-Methyl-N-(propan-2-YL)piperidine-4-carboxamide 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N⁴-isopropyl-N⁴-methyl-N¹-(3-((6-oxo-3-(o-tolylamino)pyridazin-1(6H)-yl)methyl)phenyl)piperidine-1,4-dicarboxamide
  参考文献：
  名称：

  Discovery of novel 2,6-disubstituted pyridazinone derivatives as acetylcholinesterase inhibitors

  摘要：

  2,6-Disubstituted pyridazinone 4 was identified by HTS as a novel acetylcholinesterase (AChE) inhibitor. Under SAR development, compound 17e stood out as displaying high AChE inhibitory activity and AChE/butyrylcholinesterase (BuChE) selectivity in vitro. Docking studies revealed that 17e might interact with the catalytic active site (CAS) and the peripheral anionic site (PAS) simultaneously. Based on this novel binding information, 6-ortho-tolylamino and N-ethyl-N-isopropylacetamide substituted piperidine were disclosed as new PAS and CAS binders. (c) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.01.056

文献信息

• [EN] BENZIMIDAZOLE DERIVATIVES AND THEIR USES<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLE ET LEURS UTILISATIONS
  申请人：AMGEN INC

  公开号：WO2019079578A1

  公开（公告）日：2019-04-25

  The present invention relates to inhibitors of Transient Receptor Potential Channel 6 (TRPC6) protein activity. The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising a compound of the invention, a method for manufacturing compounds of the invention and therapeutic uses thereof.

  本发明涉及抑制瞬时受体电位通道6（TRPC6）蛋白活性的抑制剂。本发明提供了一种具有式（I）的化合物或其药用可接受的盐，包含本发明化合物的药物组合物，制造本发明化合物的方法以及其治疗用途。
• BENZIMIDAZOLE DERIVATIVES AND THEIR USES
  申请人：Amgen Inc.

  公开号：EP3697410A1

  公开（公告）日：2020-08-26
• [EN] COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF<br/>[FR] COMPOSÉS PARTICIPANT À UNE LIAISON COOPÉRATIVE ET UTILISATIONS ASSOCIÉES
  申请人：REVOLUTION MEDICINES INC

  公开号：WO2020132597A1

  公开（公告）日：2020-06-25

  The disclosure features macrocyclic compounds, alone and in combination with other therapeutic agents, as well as pharmaceutical compositions and protein complexes thereof, capable of modulating biological processes including RAS and RAS-RAF inhibition, and their uses in the treatment of cancers.
• Discovery of novel 2,6-disubstituted pyridazinone derivatives as acetylcholinesterase inhibitors
  作者：Weiqiang Xing、Yan Fu、Zhangxing Shi、Dong Lu、Haiyan Zhang、Youhong Hu

  DOI：10.1016/j.ejmech.2013.01.056

  日期：2013.5

  2,6-Disubstituted pyridazinone 4 was identified by HTS as a novel acetylcholinesterase (AChE) inhibitor. Under SAR development, compound 17e stood out as displaying high AChE inhibitory activity and AChE/butyrylcholinesterase (BuChE) selectivity in vitro. Docking studies revealed that 17e might interact with the catalytic active site (CAS) and the peripheral anionic site (PAS) simultaneously. Based on this novel binding information, 6-ortho-tolylamino and N-ethyl-N-isopropylacetamide substituted piperidine were disclosed as new PAS and CAS binders. (c) 2013 Elsevier Masson SAS. All rights reserved.