N-ethyl-N-propan-2-ylpiperidine-4-carboxamide | 1094824-39-1

• 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-ethyl-N-propan-2-ylpiperidine-4-carboxamide
• CAS: 1094824-39-1
• 化学式: C₁₁H₂₂N₂O
• 分子量: 198.308
• InChiKey: KHXFGUXIRSYENN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 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-ethyl-N-propan-2-ylpiperidine-4-carboxamide 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N⁴-ethyl-N⁴-isopropyl-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

• Substituted Isoquinolinones and Quinazolinones
  申请人：BERGHAUSEN Joerg

  公开号：US20110230457A1

  公开（公告）日：2011-09-22

  The invention relates to substituted nitrogen containing bicyclic heterocycles of the formula (I) wherein Z is CH 2 or N—R 4 and X, R 1 , R 2 , R 4 , R 6 , R 7 and n are as defined in the description. Such compounds are suitable for the treatment of a disorder or disease which is mediated by the activity of MDM2 and/or MDM4, or variants thereof.

  这项发明涉及公式（I）中的取代氮含有的双环杂环化合物，其中Z为CH2或N—R4，X、R1、R2、R4、R6、R7和n的定义如描述中所述。这类化合物适用于治疗由MDM2和/或MDM4的活性介导的疾病或疾病变体。
• SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES
  申请人：Novartis AG

  公开号：US20130281473A1

  公开（公告）日：2013-10-24

  The invention relates to substituted nitrogen containing bicyclic heterocycles of the formula (I) wherein Z is CH 2 or N—R 4 and X, R 1 , R 2 , R 4 , R 6 , R 7 and n are as defined in the description. Such compounds are suitable for the treatment of a disorder or disease which is mediated by the activity of MDM2 and/or MDM4, or variants thereof.

  本发明涉及式(I)的取代氮含杂环的双环杂环化合物，其中Z是CH2或N-R4，X，R1，R2，R4，R6，R7和n的定义如说明书中所定义。这类化合物适用于治疗由MDM2和/或MDM4的活性或其变异体介导的疾病或疾病。
• US8440693B2
  申请人：——

  公开号：US8440693B2

  公开（公告）日：2013-05-14
• US9051279B2
  申请人：——

  公开号：US9051279B2

  公开（公告）日：2015-06-09
• 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.