3-Amino-6-{4-[3-(dicyclobutylamino)propyl]phenyl}-N-pyridin-3-ylpyrazine-2-carboxamide hydrochloride

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Amino-6-{4-[3-(dicyclobutylamino)propyl]phenyl}-N-pyridin-3-ylpyrazine-2-carboxamide hydrochloride
• 英文别名: 3-amino-6-[4-[3-[di(cyclobutyl)amino]propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
• 化学式: C27H33ClN6O
• 分子量: 493.0
• InChiKey: VGIMMHDOPYSOJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.13
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  97
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  正丁基锂 、 N-[3-(4-bromophenyl)propyl]-N,N-dicyclobutylamine 、 硼酸三异丙酯 、 盐酸 、 disodium;carbonate 、 3-amino-6-bromo-N-(pyridin-3-yl)pyrazine-2-carboxamide 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 氮气 、 silica 、 二氯甲烷 、 methanol-dichloromethane 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙醚 为溶剂， 反应 17.33h， 以to give 75 mg (53% yield) of the title compound as yellow solid的产率得到3-Amino-6-{4-[3-(dicyclobutylamino)propyl]phenyl}-N-pyridin-3-ylpyrazine-2-carboxamide hydrochloride
  参考文献：
  名称：

  Novel Compounds Having Selective Inhibiting Effect at GSK3

  摘要：

  本发明涉及化合物I的公式，其中Z，X，Y，环P，环Q，R，R3，R4，n和m的定义如规范所述，其作为自由碱或药学上可接受的盐，溶剂或盐的溶剂；其制备过程和其中使用的新中间体，含有该化合物的药物制剂，以及该化合物在治疗中的用途。

  公开号：

  US20100075989A1

文献信息

• [EN] NOBEL COMPOUNDS HAVING SELECTIVE INHIBITING EFFECT AT GSK3<br/>[FR] NOUVEAUX COMPOSES POSSEDANT UN EFFET D'INHIBITION SELECTIVE DE LA GSK3
  申请人：ASTRAZENECA AB

  公开号：WO2004055005A1

  公开（公告）日：2004-07-01

  The present invention relates to new compounds of formula (I) wherein: Z is N and X is CH or N; Y is CONR5; P is phenyl or a 5 or 6 membered heteroaromatic ring containing one or more heteroatoms selected from N, O or S; Q is phenyl or a 5 or 6 membered aromatic heterocyclicc ring containing one or more nitrogen atoms;R is C1-6alkylNR10R11 or C1-6alkylazetidine; R10 is hydrogen, C1-6alkyl, C2-6alkenyl, C2-6alkynyl, C0-6alkylC3-6cycloalkyl, C0-6alkylaryl, C0-61alkylheteroaryl or C1-6alkylNR8R9; R11 is C1-6alkylNR8R9, C0-6alkylC3-6cycloalkyl or C0-6alkylheterocycloalkyl; as a free base or a pharmaceutically acceptable salt, solvate or solvate of salt thereof, 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.

  本发明涉及具有以下结构式（I）的新化合物：其中：Z为N，X为CH或N；Y为CONR5；P为苯基或含有N、O或S等一种或多种杂原子的5或6元杂芳环；Q为苯基或含有一个或多个氮原子的5或6元芳香杂环；R为C1-6烷基NR10R11或C1-6烷基氮杂环丙烷；R10为氢、C1-6烷基、C2-6烯基、C2-6炔基、C0-6烷基C3-6环烷基、C0-6烷基芳基、C0-61烷基杂芳基或C1-6烷基NR8R9；R11为C1-6烷基NR8R9、C0-6烷基C3-6环烷基或C0-6烷基杂环烷基；作为游离碱或药学上可接受的盐、溶剂或其盐的溶剂，以及其制备方法和其中使用的新中间体，含有所述治疗活性化合物的药物配方以及所述活性化合物在治疗中的应用。
• Nobel compounds having selective inhibiting effect at gsk3
  申请人：Berg Stefan

  公开号：US20060116362A1

  公开（公告）日：2006-06-01

  The present invention relates to new compounds of formula (I) wherein: Z is N and X is CH or N; Y is CONR 5 ; P is phenyl or a 5 or 6 membered heteroaromatic ring containing one or more heteroatoms selected from N, O or S; Q is phenyl or a 5 or 6 membered aromatic heterocyclicc ring containing one or more nitrogen atoms; R is C 1-6 alkylNR 10 R 11 or C 1-6 alkylazetidine; R 10 is hydrogen, C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, C 0-6 alkylC 3-6 cycloalkyl, C 0-6 alkylaryl, C 0-61 alkylheteroaryl or C 1-6 alkylNR 8 R 9 ; R 11 is C 1-6 alkylNR 8 R 9 , C 0-6 alkylC 3-6 cycloalkyl or C 0-6 alkylheterocycloalkyl; as a free base or a pharmaceutically acceptable salt, solvate or solvate of salt thereof, 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.

  本发明涉及公式（I）的新化合物，其中：Z为N，X为CH或N; Y为CONR5; 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元杂芳环; Q为苯基或含有一个或多个氮原子的5或6元芳香杂环；R为C1-6烷基NR10R11或C1-6烷基氮杂四元环；R10为氢、C1-6烷基、C2-6烯基、C2-6炔基、C0-6烷基C3-6环烷基、C0-6烷基芳基、C0-6烷基杂芳基或C1-6烷基NR8R9；R11为C1-6烷基NR8R9、C0-6烷基C3-6环烷基或C0-6烷基杂环烷基；作为自由碱基或药学上可接受的盐、溶剂或其盐的溶剂，以及用于制备它们的新中间体，含有所述治疗活性化合物的制药配方以及将所述活性化合物用于治疗的用途。
• Compounds having selective inhibiting effect at GSK3
  申请人：AstraZeneca AB

  公开号：US07585853B2

  公开（公告）日：2009-09-08

  The present invention relates to new compounds of formula (I) wherein: Z is N and X is CH or N; Y is CONR5; P is phenyl or a 5 or 6 membered heteroaromatic ring containing one or more heteroatoms selected from N, O or S; Q is phenyl or a 5 or 6 membered aromatic heterocyclic ring containing one or more nitrogen atoms; R is C1-6alkylNR10R11 or C1-6alkylazetidine; R10 is hydrogen, C1-6alkyl, C2-6alkenyl, C2-6alkynyl, C0-6alkylC3-6cycloalkyl, C0-6alkylaryl, C0-61alkylheteroaryl or C1-6alkylNR8R9; R11 is C1-6alkylNR8R9, C0-6alkylC3-6cycloalkyl or C0-6alkylheterocycloalkyl; as a free base or a pharmaceutically acceptable salt, solvate or solvate of salt thereof, 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.

  本发明涉及式（I）的新化合物，其中：Z为N，X为CH或N；Y为CONR5；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元杂环芳烃环；Q为苯基或含有一个或多个氮原子的5或6元芳香杂环环；R为C1-6烷基NR10R11或C1-6烷基氮杂四元环；R10为氢、C1-6烷基、C2-6烯基、C2-6炔基、C0-6烷基C3-6环烷基、C0-6烷基芳基、C0-61烷基杂芳基或C1-6烷基NR8R9；R11为C1-6烷基NR8R9、C0-6烷基C3-6环烷基或C0-6烷基杂环烷基；作为自由碱基或药学上可接受的盐、溶剂或其盐的溶剂，以及用于它们的制备的新中间体，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应用。
• NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFFECT AT GSK3
  申请人：AstraZeneca AB

  公开号：EP1575938A1

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

  公开号：EP1575938B1

  公开（公告）日：2010-01-06