1-(2-morpholin-4-yl-ethyl)-1,4-dihydro-quinoxaline-2,3-dione | 126991-54-6

• 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-morpholin-4-yl-ethyl)-1,4-dihydro-quinoxaline-2,3-dione
• 英文别名: 4-(2-morpholin-4-ylethyl)-1H-quinoxaline-2,3-dione
• CAS: 126991-54-6
• 化学式: C₁₄H₁₇N₃O₃
• 分子量: 275.307
• InChiKey: MSWWEVDXTOMRBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  61.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-morpholin-4-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-morpholinoethyl)-quinoxalin-2(1H)-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：

  1-氟-2-硝基苯 在 palladium on activated charcoal 氢气 、 sodium acetate 作用下， 以 乙醇 为溶剂， 80.0 ℃ 、344.74 kPa 条件下， 生成 1-(2-morpholin-4-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。
• Imidazoquinoxaline compounds and their preparation and use
  申请人：NOVO NORDISK A/S

  公开号：EP0344943A1

  公开（公告）日：1989-12-06

  New imidazoquinoxaline compounds having the general formula wherein R³ is or CO₂R′ wherein R′ is C₃₋₇-cycloalkyl; R⁵ is methyl, which is substituted with hydrogen, alkoxycar­bonyl, heteroaryl, morpholino C₃₋₇-cycloalkyl, C₁₋₆-alkenyl, arylacyl, alkylacyl, alkoxyalkyl, alkoxy, phthalimidophenyl, aralkyl or aryl, all of which are substituted with hydrogen, halogen, C₁₋₆-alkyl, amino, azido, of C₁₋₆-alkoxy; and R₆ is H, C₁₋₆-alkyl, halogen, or CF₃. The compounds are useful in psychopharmaceutical preparati­ons as anticonvulsants, anxiolytics, hypnotics, and in improving the cognitive function of the brain of mammals.

  通式如下的新咪唑喹喔啉化合物 其中 R³ 是 或 CO₂R′ 其中 R′是 C₃₋₇-环烷基； R⁵ 是甲基，它被氢、烷氧羰基、杂芳基、吗啉基 C₃₋₇-环烷基、C₁₋₆-烯基、芳基酰基、烷基酰基取代、烷氧基烷基、烷氧基、邻苯二甲酰亚胺基苯基、芳基或芳基，所有这些都被氢、卤素、C₁₋₆-烷基、氨基、叠氮、C₁₋₆-烷氧基取代； R₆ 是 H、C₁₋₆-烷基、卤素或 CF₃。 这些化合物可作为抗惊厥药、抗焦虑药、催眠药和改善哺乳动物大脑认知功能的精神药物制剂。
• (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
• US5075304A
  申请人：——

  公开号：US5075304A

  公开（公告）日：1991-12-24
• Synthesis and evaluation of 3-anilino-quinoxalinones as glycogen phosphorylase inhibitors
  作者：Joseph Dudash、Yongzheng Zhang、John B. Moore、Richard Look、Yin Liang、Mary Pat Beavers、Bruce R. Conway、Philip J. Rybczynski、Keith T. Demarest

  DOI：10.1016/j.bmcl.2005.07.021

  日期：2005.11

  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.