3-amino-4-(3,4-dimethoxyphenyl)maleimide | 159109-08-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-amino-4-(3,4-dimethoxyphenyl)maleimide
• 英文别名: 3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2,5-dione；3-amino-4-(3,4-dimethoxyphenyl)pyrrole-2,5-dione
• CAS: 159109-08-7
• 化学式: C₁₂H₁₂N₂O₄
• mdl: MFCD00775040
• 分子量: 248.238
• InChiKey: TWTSVOCADGGDHL-UHFFFAOYSA-N

物化性质

• 沸点：
  438.9±45.0 °C(Predicted)
• 密度：
  1.328±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  90.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-amino-4-(3,4-dimethoxyphenyl)maleimide 以 N,N-二甲基甲酰胺 、 三氟乙酸 为溶剂， 生成 7,8-Dimethoxy-pyrrolo[3,4-c]isoquinoline-1,3-dione
  参考文献：
  名称：

  Cyclodesamination of N-azolylformamidines. Synthesis of polyazaheterocycles with isoquinoline and indolo[2,3-c]-pyridine structural fragments

  摘要：

  DOI：

  10.1007/bf02290749
• 作为产物：
  描述：

  4-Acetoxy-2-[(Z)-acetylimino]-3-(3,4-dimethoxy-phenyl)-5-ethoxy-3,4-dihydro-2H-furanylium; perchlorate 在 ammonium acetate 、 溶剂黄146 作用下， 反应 2.0h， 以66%的产率得到3-amino-4-(3,4-dimethoxyphenyl)maleimide
  参考文献：
  名称：

  Bogza, S. L.; Nikolyukin, Yu. A.; Zubritskii, M. Yu., Russian Journal of Organic Chemistry, 1993, vol. 29, # 7.2, p. 1230 - 1233

  摘要：

  DOI：

文献信息

• Novel method and compounds
  申请人：SmithKline Beecham p.l.c.

  公开号：US20040010031A1

  公开（公告）日：2004-01-15

  A method for the treatment of conditions associated with a need for inhibition of GSK-3, such as diabetes, dementias such as Alzheimer's disease and manic depression which method comprises the administration of a pharmaceutically effective, non-toxic amount of a compound of formula (I): 1 or a pharmaceutically acceptable derivative thereof, wherein: R is hydrogen, alkyl, aryl, or aralkyl; R 1 is hydrogen, alkyl, aralkyl, hydroxyalkyl or alkoxyalkyl; R 2 is substituted or unsubstituted aryl or substituted or unsubstituted heterocyclyl; R 3 is hydrogen, substituted or unsubstituted alkyl, cycloalkyl, alkoxyalkyl, substituted or unsubstituted aryl, substituted or unsubstituted heterocyclyl or aralkyl wherein the aryl moiety is substituted or unsubstituted; or, R 1 and R 3 together with the nitrogen to which they are attached form a single or fused, optionally substituted, saturated or unsaturated heterocylic ring; to a human or non-human mammal in need thereof, and compounds of formula I.

  一种用于治疗与需要抑制GSK-3相关的疾病的方法，例如糖尿病、阿尔茨海默病和躁郁症，该方法包括向需要的人类或非人类哺乳动物投予化学药效、无毒量的化合物(I)的药物，其中：R为氢、烷基、芳基或芳基烷基；R1为氢、烷基、芳基烷基、羟基烷基或烷氧基烷基；R2为取代或未取代的芳基或取代或未取代的杂环烷基；R3为氢、取代或未取代的烷基、环烷基、烷氧基烷基、取代或未取代的芳基、取代或未取代的杂环烷基或芳基烷基，其中芳基部分为取代或未取代；或者，R1和R3与它们连接的氮一起形成单个或融合的、可选择取代的饱和或不饱和杂环环；以及化合物I的药物可接受衍生物。
• Methods and materials for identifying agents which modulate bone remodeling and agents identified thereby
  申请人：Chatterjee-Kishore Moitreyee

  公开号：US20060252045A1

  公开（公告）日：2006-11-09

  The invention discloses compositions, compounds, apparatuses and methods of using them to study bone mineralization and identify agents that regulate bone mineralization. Methods of using bone mineralization gene profiles and signatures for compound screening and research are also disclosed. Reagents for modulating bone mineralization are provided for both therapeutic and research usage.

  本发明揭示了用于研究骨矿化和鉴定调节骨矿化的药物的组合物、化合物、装置和使用方法。还揭示了使用骨矿化基因谱和签名进行化合物筛选和研究的方法。提供了用于调节骨矿化的试剂，可用于治疗和研究。
• Acid cyclization of amino-substituted heterocycles. Synthesis of 1,3-dioxo- pyrrolo[3,4-c]- and thieno[3,4-c]isoquino- lines and cinnolines
  作者：S. Yu. Zinchenko、R. A. Efimenko、S. Yu. Suikov、K. I. Kobrakov、S. L. Bogza

  DOI：10.1007/s10593-009-0262-2

  日期：2009.3

  The reaction of 3-amino-4-(3,4-dimethoxyphenyl)maleimide and the methyl esters of 3-amino-4-(3,4-dimethoxyphenyl)-5-R-thiophene-2-carboxylic acids with carbonyl compounds and nitrous acid has been investigated. Dioxopyrrolo[3,4-c]- and thieno[3,4-c]isoquinolines and cinnolines were obtained.
• PYRROLE-2,5-DIONES AS GSK-3 INHIBITORS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1119548A1

  公开（公告）日：2001-08-01
• METHODS AND MATERIALS FOR IDENTIFYING AGENTS WHICH MODULATE BONE REMODELING AND AGENTS IDENTIFIED THEREBY
  申请人：Wyeth

  公开号：EP1636388A2

  公开（公告）日：2006-03-22