2-({[2-(Dimethylamino)ethyl]amino}methyl)-3,4-dihydroquinazolin-4-one | 901273-21-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-({[2-(Dimethylamino)ethyl]amino}methyl)-3,4-dihydroquinazolin-4-one
• 英文别名: 2-[[2-(dimethylamino)ethylamino]methyl]-3H-quinazolin-4-one
• CAS: 901273-21-0
• 化学式: C₁₃H₁₈N₄O
• mdl: MFCD06342797
• 分子量: 246.312
• InChiKey: KQCLSRFINFBXHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.384
• 拓扑面积：
  56.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-({[2-(Dimethylamino)ethyl]amino}methyl)-3,4-dihydroquinazolin-4-one 、 色酮-3-甲醛 在 三甲基氯硅烷 、 水 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以85%的产率得到2-[1-[2-(dimethylamino)ethyl]-4-(2-hydroxybenzoyl)-1H-pyrrol-2-yl]quinazolin-4(3H)-one hydrochloride
  参考文献：
  名称：

  A synthesis of 5-hetaryl-3-(2-hydroxybenzoyl)pyrroles

  摘要：

  A facile and versatile procedure for the synthesis of 5-hetaryl-3-(2-hydroxybenzoyl)-1H-pyrroles and 4-(2-hydroxybenzoyl)-1H-pyrrole-2-carboxylic acid derivatives was established on the basis of TMSCl promoted recyclization of 3-formylchromone with various hetarylmethylamines and glycine derivatives. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.04.041

文献信息

• Photoreactive ligands and uses thereof
  申请人：The Scripps Research Institute

  公开号：US11535597B2

  公开（公告）日：2022-12-27

  Disclosed herein are methods for identifying proteins as targets for interaction with a small molecule ligand. Also disclosed herein are small molecule ligands and compositions for use in profiling druggable proteins.

  本文公开了用于确定蛋白质作为与小分子配体相互作用的靶标的方法。本文还公开了用于分析可药用蛋白质的小分子配体和组合物。
• PHOTOREACTIVE LIGANDS AND USES THEREOF
  申请人：The Scripps Research Institute

  公开号：US20200071277A1

  公开（公告）日：2020-03-05

  Disclosed herein are methods for identifying proteins as targets for interaction with a small molecule ligand. Also disclosed herein are small molecule ligands and compositions for use in profiling druggable proteins.
• A synthesis of 5-hetaryl-3-(2-hydroxybenzoyl)pyrroles
  作者：Andrey S. Plaskon、Sergey V. Ryabukhin、Dmitriy M. Volochnyuk、Alexander N. Shivanyuk、Andrey A. Tolmachev

  DOI：10.1016/j.tet.2008.04.041

  日期：2008.6

  A facile and versatile procedure for the synthesis of 5-hetaryl-3-(2-hydroxybenzoyl)-1H-pyrroles and 4-(2-hydroxybenzoyl)-1H-pyrrole-2-carboxylic acid derivatives was established on the basis of TMSCl promoted recyclization of 3-formylchromone with various hetarylmethylamines and glycine derivatives. (C) 2008 Elsevier Ltd. All rights reserved.