2-methyl-N-(2-methylphenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide | 506417-11-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-methyl-N-(2-methylphenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
• 英文别名: 2-methyl-4-(4-nitro-phenyl)-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid o-tolylamide；2-methyl-N-(2-methylphenyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• CAS: 506417-11-4
• 化学式: C₂₄H₂₃N₃O₄
• 分子量: 417.464
• InChiKey: QDEHXLZCRCVTTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2'-甲基乙酰乙酰苯胺 、 1,3-环己二酮 、 对硝基苯甲醛 在 ammonium acetate 作用下， 以68%的产率得到2-methyl-N-(2-methylphenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
  参考文献：
  名称：

  Synthesis of 4,N-diaryl-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamides

  摘要：

  Cyclohexane-1,3-dione reacted with substituted benzaldehydes and N-arylacetoacetamides in the presence of ammonium acetate under solvent-free conditions (150-160A degrees C, 10-20 min) to give the corresponding 4,N-diaryl-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamides. The product structure was determined by IR and (1)H NMR spectroscopy and mass spectrometry.

  DOI：

  10.1134/s1070428011060091

文献信息

• Derivatives of 1,3-diones having a herbicidal activity
  申请人：Meazza Giovanni

  公开号：US20070015918A1

  公开（公告）日：2007-01-18

  A description follows of 1,3-diones having general formula (I): together with their use as herbicides for the control of weeds in agricultural crops.

  以下是一些具有通式(I)的1,3-二酮的描述，以及它们作为除草剂在农业作物中控制杂草的用途。
• GPR41 AND MODULATORS THEREOF FOR THE TREATMENT OF INSULIN-RELATED DISORDERS
  申请人：Arena Pharmaceuticals, Inc.

  公开号：EP1812080B1

  公开（公告）日：2014-07-09
• Gpr41 and Modulators Thereof for the Treatment of Insulin-Related Disorders
  申请人：Leonard James N.

  公开号：US20080312277A1

  公开（公告）日：2008-12-18

  The present invention relates to a method for identifying a glycemic stabilizing compound by: a) contacting a candidate compound with GPR41, and b) determining whether GPR41 functionality is modulated, where a modulation in GPR41 functionality is indicative of the candidate compound being a glycemic stabilizing compound. In addition, the invention relates to a method for identifying a glycemic stabilizing compound, comprising: a) contacting a candidate compound with GPR41, and b) determining whether GPR41 functionality is increased, wherein an increase in GPR41 functionality is indicative of the candidate compound being a glycemic stabilizing compound. Further, the invention relates to a method for identifying a glycemic stabilizing compound, comprising: a) contacting a candidate compound with GPR41, and b) determining whether GPR41 functionality is decreased, wherein a decrease in GPR41 functionality is indicative of the candidate compound being a glycemic stabilizing compound.
• [EN] GPR41 AND MODULATORS THEREOF FOR THE TREATMENT OF INSULIN-RELATED DISORDERS<br/>[FR] GPR41 ET MODULATEURS DE CELUI-CI UTILISES DANS LE TRAITEMENT DE TROUBLES LIES A L'INSULINE
  申请人：ARENA PHARM INC

  公开号：WO2006052566A2

  公开（公告）日：2006-05-18

  [EN] The present invention relates to a method for identifying a glycemic stabilizing compound by: a) contacting a candidate compound with GPR41, and b) determining whether GPR41 functionality is modulated, where a modulation in GPR41 functionality is indicative of the candidate compound being a glycemic stabilizing compound. In addition, the invention relates to a method for identifying a glycemic stabilizing compound, comprising: a) contacting a candidate compound with GPR41, and b) determining whether GPR41 functionality is increased, wherein an increase in GPR41 functionality is indicative of the candidate compound being a glycemic stabilizing compound. Further, the invention relates to a method for identifying a glycemic stabilizing compound, comprising: a) contacting a candidate compound with GPR41, and b) determining whether GPR41 functionality is decreased, wherein a decrease in GPR41 functionality is indicative of the candidate compound being a glycemic stabilizing compound.
  [FR] La présente invention concerne un procédé permettant d'identifier un composé de stabilisation glycémique consistant: a) à mettre un composant candidat en contact avec un récepteur GPR41; et b) à déterminer si la fonctionnalité du récepteur GPR41 est modulée, une modulation de la fonctionnalité du récepteur GPR41 indiquant que le composé candidat est un composé de stabilisation glycémique. Cette invention concerne également un procédé permettant d'identifier un composé de stabilisation glycémique consistant: a) à mettre un composé candidat en contact avec un récepteur GPR41; et b) à déterminer si la fonctionnalité du récepteur GPR41 a augmenté, une augmentation de la fonctionnalité du récepteur GPR41 indiquant que le composé candidat est un composé de stabilisation glycémique. Cette invention concerne en outre un procédé permettant d'identifier un composé de stabilisation glycémique consistant: a) à mettre un composé candidat en contact avec un récepteur GPR41; et b) à déterminer si la fonctionnalité du récepteur GPR41 a diminué, une diminution de la fonctionnalité du récepteur GPR41 indiquant que le composé candidat est un composé de stabilisation glycémique.
• Synthesis of 4,N-diaryl-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamides
  作者：V. L. Gein、M. I. Kazantseva、A. A. Kurbatova

  DOI：10.1134/s1070428011060091

  日期：2011.6

  Cyclohexane-1,3-dione reacted with substituted benzaldehydes and N-arylacetoacetamides in the presence of ammonium acetate under solvent-free conditions (150-160A degrees C, 10-20 min) to give the corresponding 4,N-diaryl-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamides. The product structure was determined by IR and (1)H NMR spectroscopy and mass spectrometry.