7-amino-3-(2-methylpropyl)-6-(propan-2-ylamino)quinoxalin-2(1H)-one | 697285-95-3

• 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: 7-amino-3-(2-methylpropyl)-6-(propan-2-ylamino)quinoxalin-2(1H)-one
• 英文别名: 7-amino-3-(2-methylpropyl)-6-(propan-2-ylamino)-1H-quinoxalin-2-one
• CAS: 697285-95-3
• 化学式: C₁₅H₂₂N₄O
• 分子量: 274.366
• InChiKey: AYVYHUNHVNLBTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  79.5
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-amino-3-(2-methylpropyl)-6-(propan-2-ylamino)quinoxalin-2(1H)-one 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 7-isobutyl-1-isopropyl-2-(3-methylbut-2-enylthio)-1H-imidazo[4,5-g]quinoxalin-6(5H)-one
  参考文献：
  名称：

  Traceless polymer-supported divergent synthesis of quinoxalinones by microwave irradiation

  摘要：

  A novel protocol for rapid assemble of quinoxalinones framework has been demonstrated. This method incorporated with soluble polymer support provides a convenient approach for diversification of heterocyclic compounds and for easy purification via facile precipitation from reaction matrix. The key transformation of this study involves in situ reduction of aromatic nitro compound, tandem lactamization concomitant with traceless cleavage of the polymer support under microwave irradiation in a one-pot fashion. Moreover, forward synthetic routes were introduced to maximize complexity of the master intermediate on which further chemical elaboration was applied. The strategy is envisaged to apply for establishment of drug-like small-molecule libraries for high-throughput screening. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.03.015
• 作为产物：
  描述：

  在 palladium 10% on activated carbon 、 甲酸铵 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 7-amino-3-(2-methylpropyl)-6-(propan-2-ylamino)quinoxalin-2(1H)-one
  参考文献：
  名称：

  Identification of Peptide Substrate and Small Molecule Inhibitors of Testis-Specific Serine/Threonine Kinase1 (TSSK1) By the Developed Assays

  摘要：

  In this paper, a peptide substrate (Pep8) of TSSK1 is identified. Using Pep8 as a substrate, two homogeneous and efficient assays for TSSK1 inhibitors screening have been developed, including luminescent kinase assay and LC-MS-based high-throughput assay, Two classes of compounds were identified that are able to efficiently inhibit phosphorylation catalyzed by TSSK1.

  DOI：

  10.1021/jm9002846

文献信息

• Traceless polymer-supported divergent synthesis of quinoxalinones by microwave irradiation
  作者：Chien-Hung Shen、Chih-Chung Tseng、Cheng-Hsun Tasi、Suhas A. Shintre、Li-Hsun Chen、Chung-Ming Sun

  DOI：10.1016/j.tet.2012.03.015

  日期：2012.5

  A novel protocol for rapid assemble of quinoxalinones framework has been demonstrated. This method incorporated with soluble polymer support provides a convenient approach for diversification of heterocyclic compounds and for easy purification via facile precipitation from reaction matrix. The key transformation of this study involves in situ reduction of aromatic nitro compound, tandem lactamization concomitant with traceless cleavage of the polymer support under microwave irradiation in a one-pot fashion. Moreover, forward synthetic routes were introduced to maximize complexity of the master intermediate on which further chemical elaboration was applied. The strategy is envisaged to apply for establishment of drug-like small-molecule libraries for high-throughput screening. (C) 2012 Elsevier Ltd. All rights reserved.
• Identification of Peptide Substrate and Small Molecule Inhibitors of Testis-Specific Serine/Threonine Kinase1 (TSSK1) By the Developed Assays
  作者：Leilei Zhang、Yu Yan、Zijie Liu、Zeper Abliz、Gang Liu

  DOI：10.1021/jm9002846

  日期：2009.7.23

  In this paper, a peptide substrate (Pep8) of TSSK1 is identified. Using Pep8 as a substrate, two homogeneous and efficient assays for TSSK1 inhibitors screening have been developed, including luminescent kinase assay and LC-MS-based high-throughput assay, Two classes of compounds were identified that are able to efficiently inhibit phosphorylation catalyzed by TSSK1.