7-amino-6-(heptylamino)-3-propan-2-yl-1H-quinoxalin-2-one | 697286-28-5

• 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-6-(heptylamino)-3-propan-2-yl-1H-quinoxalin-2-one
• CAS: 697286-28-5
• 化学式: C₁₈H₂₈N₄O
• 分子量: 316.447
• InChiKey: LBDKABRIEITNKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 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-6-(heptylamino)-3-propan-2-yl-1H-quinoxalin-2-one 、 3,4-二羟基苯甲醛 在 air 、 溶剂黄146 作用下， 以 1,4-二氧六环 为溶剂， 反应 8.0h， 生成 2-(3,4-dihydroxyphenyl)-1-heptyl-7-isopropyl-1H-imidazo[4,5-g]quinoxalin-6(5H)-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
• 作为产物：
  描述：

  Methyl 2-[5-(heptylamino)-2,4-dinitroanilino]-3-methylbutanoate 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-6-(heptylamino)-3-propan-2-yl-1H-quinoxalin-2-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

• 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.