3-amino-N-(3-amino-3-oxopropyl)-6-[4-(pyrrolidin-1-ylsulfonyl)phenyl]pyrazine-2-carboxamide | 714218-88-9

• 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-N-(3-amino-3-oxopropyl)-6-[4-(pyrrolidin-1-ylsulfonyl)phenyl]pyrazine-2-carboxamide
• 英文别名: 3-amino-N-(3-amino-3-oxopropyl)-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
• CAS: 714218-88-9
• 化学式: C₁₈H₂₂N₆O₄S
• 分子量: 418.476
• InChiKey: OVADHLULLMVDAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  170
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• [EN] NOBEL COMPOUNDS HAVING SELECTIVE INHIBITING EFECT AT GSK3<br/>[FR] NOUVEAUX COMPOSES A EFFET INHIBITEUR SELECTIF A LA PROTEINE KINASE GSK3
  申请人：ASTRAZENECA AB

  公开号：WO2004055009A1

  公开（公告）日：2004-07-01

  The present invention relates to new compounds of formula (I) wherein Z is N; Y is CONR5, NR5CO, SO2NR5, NR5SO2, CH2NR5, NR5, NR5CONR5, CH2CO, CO, O or CH2O; X is CH or N; P is phenyl or a 5 or 6 membered heteroaromatic ring containing one or more heteroatoms selected from N, O or S and said phenyl ring or 5 or 6 membered heteroaromatic ring may optionally be fused with a 5 or 6 membered saturated, partially saturated or unsaturated ring containing one or more atoms selected from C, N, O or S; Q is C1-6alkyl, C2-6alkenyl or C2-6alkynyl, a process for their preparation and new intermediates used therein, pharmaceutical formulations containing said therapeutically active compounds and to the use of said active compounds in therapy, such as provide compounds having a selective inhibiting effect at GSK3.

  本发明涉及公式（I）的新化合物，其中 Z 是 N；Y 是 CONR5、NR5CO、SO2NR5、NR5SO2、CH2NR5、NR5、NR5CONR5、CH2CO、CO、O 或 CH2O；X 是 CH 或 N；P 是苯基或含有一个或多个异原子（选自 N、O 或 S）的5或6元杂芳环，所述苯环或5或6元杂芳环可以选择性地与含有一个或多个选自 C、N、O 或 S 的原子的5或6元饱和、部分饱和或不饱和环融合；Q 是 C1-6烷基、C2-6烯基或C2-6炔基，以及用于其制备的新中间体，含有所述治疗活性化合物的药物制剂，以及所述活性化合物在治疗中的使用，例如提供具有对GSK3具有选择性抑制作用的化合物。
• Novel compounds having selective inhibiting effect at gsk3
  申请人：Berg Stefan

  公开号：US20060116385A1

  公开（公告）日：2006-06-01

  The present invention relates to new compounds of formula (I) wherein Z is N; Y is CONR 5 , NR 5 CO, SO 2 NR 5 , NR 5 SO 2 , CH 2 NR 5 , NR 5 , NR 5 CONR 5 , CH 2 CO, CO, O or CH 2 O; X is CH or N; P is phenyl or a 5 or 6 membered heteroaromatic ring containing one or more heteroatoms selected from N, O or S and said phenyl ring or 5 or 6 membered heteroaromatic ring may optionally be fused with a 5 or 6 membered saturated, partially saturated or unsaturated ring containing one or more atoms selected from C, N, O or S; Q is C 1-6 alkyl, C 2-6 alkenyl or C 2-6 alkynyl, a process for their preparation and new intermediates used therein, pharmaceutical formulations containing said therapeutically active compounds and to the use of said active compounds in therapy, such as provide compounds having a selective inhibiting effect at GSK3.

  本发明涉及式（I）的新化合物，其中Z为N；Y为CONR5，NR5CO，SO2NR5，NR5SO2，CH2NR5，NR5，NR5CONR5，CH2CO，CO，O或CH2O；X为CH或N；P为苯基或含有N，O或S中的一个或多个杂原子的5或6成员杂芳环，并且所述苯环或5或6成员杂芳环可以选择性地与含有C，N，O或S中的一个或多个原子的5或6成员饱和，部分饱和或不饱和环融合；Q为C1-6烷基，C2-6烯基或C2-6炔基，其制备方法以及其中使用的新中间体，含有所述治疗活性化合物的制药配方以及在治疗中使用所述活性化合物，例如提供具有选择性抑制GSK3作用的化合物。
• Novel Compounds Having Selective Inhibiting Effect at GSK3
  申请人：Berg Stefan

  公开号：US20100087396A1

  公开（公告）日：2010-04-08

  The present invention relates to new compounds of formula I wherein Z is N; Y is CONR 5 , NR 5 CO, SO 2 NR 5 , NR 5 SO 2 , CH 2 NR 5 , NR 5 , NR 5 CONR 5 , CH 2 CO, CO, O or CH 2 O; X is CH or N; P is phenyl or a 5 or 6 membered heteroaromatic ring containing one or more heteroatoms selected from N, O or S and said phenyl ring or 5 or 6 membered heteroaromatic ring may optionally be fused with a 5 or 6 membered saturated, partially saturated or unsaturated ring containing one or more atoms selected from C, N, O or S; Q is C 1-6 alkyl, C 2-6 alkenyl or C 2-6 alkynyl, a process for their preparation and new intermediates used therein, pharmaceutical formulations containing said therapeutically active compounds and to the use of said active compounds in therapy, such as provide compounds having a selective inhibiting effect at GSK3.

  本发明涉及式I的新化合物，其中Z为N; Y为CONR5，NR5CO，SO2NR5，NR5SO2，CH2NR5，NR5，NR5CONR5，CH2CO，CO，O或CH2O; X为CH或N; P为苯基或含有一个或多个异原子（选自N，O或S）的5或6成员杂环芳香环，所述苯环或5或6成员杂环芳香环可以选择性地与含有一个或多个选自C，N，O或S的原子的5或6成员饱和，部分饱和或不饱和环融合; Q为C1-6烷基，C2-6烯基或C2-6炔基，其制备过程及其中使用的新中间体，含有所述治疗活性化合物的制药配方以及所述活性化合物在治疗中的使用，例如提供具有GSK3选择性抑制作用的化合物。
• NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFECT AT GSK3
  申请人：AstraZeneca AB

  公开号：EP1575942A1

  公开（公告）日：2005-09-21
• COMPOUNDS HAVING SELECTIVE INHIBITING EFECT AT GSK3
  申请人：AstraZeneca AB

  公开号：EP1575942B1

  公开（公告）日：2007-05-02