N-(pyridin-3-ylmethyl)piperidine-4-carboxamide | 864717-63-5

• 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-(pyridin-3-ylmethyl)piperidine-4-carboxamide
• CAS: 864717-63-5
• 化学式: C₁₂H₁₇N₃O
• 分子量: 219.286
• InChiKey: AJYLRDRZBOYTST-UHFFFAOYSA-N

物化性质

• 沸点：
  470.6±45.0 °C(Predicted)
• 密度：
  1.116±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  54
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-bromo-1-methyl-1-H-pyrrolo[2,3-b]pyridine-3-carbaldehyde 、 N-(pyridin-3-ylmethyl)piperidine-4-carboxamide 在 tris-(dibenzylideneacetone)dipalladium(0) 、 dipotassium hydrogenphosphate 、 2-二环己膦基-2'-(N,N-二甲胺)-联苯 作用下， 以 1,4-二氧六环 为溶剂， 生成 1-(3-formyl-1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
  参考文献：
  名称：

  4-Substituted-7-azaindoles bearing a ureidobenzofuranone moiety as potent and selective, ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR)

  摘要：

  A series of 5-ureidobenzofuranones was discovered as potent and selective inhibitors of mTOR with good cellular activity. Molecular modeling studies revealed several hydrogen bond interactions of the ureido group with the enzyme at the ATP-binding site. Furthermore, modeling showed that the ureido group is best situated at C-5 of the benzofuranone. Syntheses of 4-ureido and 5-ureidobenzofuranones are presented. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.012

文献信息

• Pd^II -Mediated Oxidative Amination for Access to a 9-Azabicyclo[4.2.1]nonane Compound Library and Anatoxin-a
  作者：Rafid S. Dawood、Suresh R. Chidipudi、Daniel C. O'Connor、William Lewis、Daniel Hamza、Christopher A. Pearce、Geraint Jones、Ross P. Wilkie、Irene Georgiou、Thomas E. Storr、Jonathan C. Moore、Robert A. Stockman

  DOI：10.1002/ejoc.201801209

  日期：2018.11.1

  Biologically relevant 9 azabicyclo[4.2.1]nonanes can be synthesised through an intramolecular oxidative amination of aminocyclooct‐4‐enes. The reaction is generally high yielding, has good substrate scope and proceeds under “ligand‐free” catalytic conditions. The protocol was applied to the synthesis of anatoxin‐a and a series of chemical scaffolds, which were further derivatised to form an 881‐membered

  与生物相关的9个氮杂双环[4.2.1]壬烷可以通过氨基环辛-4-烯的分子内氧化胺化反应合成。该反应通常收率高，具有良好的底物范围，可在“无配体”催化条件下进行。该方案适用于合成Anatoxin-a和一系列化学支架，并将其进一步衍生化以形成881元化合物库。
• 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES
  申请人：Tsou Hwei-Ru

  公开号：US20090298820A1

  公开（公告）日：2009-12-03

  The invention relates to 3-substituted-1H-pyrrolo[2,3-b]pyridine, and 3-substituted-1H-pyrrolo[3,2-b]pyridine compounds of the Formula 1: or a pharmaceutically acceptable salt thereof, wherein the constituent variables are as defined herein, compositions comprising the compounds, and methods for making and using the compounds.

  该发明涉及Formula 1中的3-取代-1H-吡咯[2,3-b]吡啶和3-取代-1H-吡咯[3,2-b]吡啶化合物，或其药学上可接受的盐，其中各组成变量如本文所定义，包括含有这些化合物的组合物，以及制备和使用这些化合物的方法。
• [EN] LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY<br/>[FR] DÉRIVÉS DE THIOPHÈNE 2,5-DISUBSTITUÉS DE FAIBLE POIDS MOLÉCULAIRE ET LEUR UTILISATION EN THÉRAPIE
  申请人：NOVASAID AB

  公开号：WO2009098282A1

  公开（公告）日：2009-08-13

  A compound of formula (I). The compound is useful for the treatment of disorders such as pain, fever, inflammation and cancer. A method for preparing the compound.

  一种化合物的化学式（I）。该化合物可用于治疗疼痛、发热、炎症和癌症等疾病。一种制备该化合物的方法。
• 4-Substituted-7-azaindoles bearing a ureidobenzofuranone moiety as potent and selective, ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR)
  作者：Hwei-Ru Tsou、Gloria MacEwan、Gary Birnberg、Nan Zhang、Natasja Brooijmans、Lourdes Toral-Barza、Irwin Hollander、Semiramis Ayral-Kaloustian、Ker Yu

  DOI：10.1016/j.bmcl.2010.02.012

  日期：2010.4

  A series of 5-ureidobenzofuranones was discovered as potent and selective inhibitors of mTOR with good cellular activity. Molecular modeling studies revealed several hydrogen bond interactions of the ureido group with the enzyme at the ATP-binding site. Furthermore, modeling showed that the ureido group is best situated at C-5 of the benzofuranone. Syntheses of 4-ureido and 5-ureidobenzofuranones are presented. (C) 2010 Elsevier Ltd. All rights reserved.