3-Chloro-1-(2-piperidin-1-ylethyl)quinoxalin-2-one | 857090-15-4

• 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: 3-Chloro-1-(2-piperidin-1-ylethyl)quinoxalin-2-one
• CAS: 857090-15-4
• 化学式: C₁₅H₁₈ClN₃O
• 分子量: 291.78
• InChiKey: KLUMDJQKDDVOOF-UHFFFAOYSA-N

物化性质

• 沸点：
  441.8±47.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  35.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-氨基-N-噻吩-2-甲基苯甲酰胺 、 3-Chloro-1-(2-piperidin-1-ylethyl)quinoxalin-2-one 以 乙腈 为溶剂， 生成 4-[3-Oxo-4-(2-piperidin-1-yl-ethyl)-3,4-dihydro-quinoxalin-2-ylamino]-N-thiophen-2-ylmethyl-benzamide
  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：

  1-(2-piperidin-1-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-piperidin-1-ylethyl)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

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