1-(2-pyridin-2-yl-ethyl)-1,4-dihydro-quinoxaline-2,3-dione | 869199-15-5

• 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: 1-(2-pyridin-2-yl-ethyl)-1,4-dihydro-quinoxaline-2,3-dione
• 英文别名: 4-(2-pyridin-2-ylethyl)-1H-quinoxaline-2,3-dione
• CAS: 869199-15-5
• 化学式: C₁₅H₁₃N₃O₂
• 分子量: 267.287
• InChiKey: VZYVDKBFQHLZMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  62.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-pyridin-2-yl-ethyl)-1,4-dihydro-quinoxaline-2,3-dione 在 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-chloro-1-(2-pyridin-2-yl-ethyl)-1H-quinoxalin-2-one
  参考文献：
  名称：

  Synthesis and evaluation of 3-anilino-quinoxalinones as glycogen phosphorylase inhibitors

  摘要：

  A series of 3-anilino-quinoxalinones has been identified as a new class of glycogen phosphorylase inhibitors. The lead compound I was identified through high throughput screening as well as through pharmacophore-based electronic screening. Modifications were made to the scaffold of 1 to produce novel analogues, some of which are 25 times more potent than the lead compound. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.021
• 作为产物：
  描述：

  2-nitro-N-(2-(pyridin-2-yl)ethyl)aniline 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 生成 1-(2-pyridin-2-yl-ethyl)-1,4-dihydro-quinoxaline-2,3-dione
  参考文献：
  名称：

  Synthesis and evaluation of 3-anilino-quinoxalinones as glycogen phosphorylase inhibitors

  摘要：

  A series of 3-anilino-quinoxalinones has been identified as a new class of glycogen phosphorylase inhibitors. The lead compound I was identified through high throughput screening as well as through pharmacophore-based electronic screening. Modifications were made to the scaffold of 1 to produce novel analogues, some of which are 25 times more potent than the lead compound. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.021

文献信息

• Quinoxalinones
  申请人：Beavers Pat Mary

  公开号：US20050148586A1

  公开（公告）日：2005-07-07

  The invention features quinoxalinones, pharmaceutical compositions containing them and methods of using them to treat, for example, diabetes.

  这项发明涉及喹喔啉酮，包含它们的药物组合物以及使用它们治疗糖尿病等疾病的方法。
• (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1711184B1

  公开（公告）日：2007-07-18