6-cyclopentyl-9-[(3-methoxyphenyl)amino]-2-methyl-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 嘧啶二氮卓类
• 英文名称: 6-cyclopentyl-9-[(3-methoxyphenyl)amino]-2-methyl-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-3-one
• 英文别名: 9-cyclopentyl-2-(3-methoxy-phenylamino)-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one；9-Cyclopentyl-2-(3-methoxyanilino)-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one
• 化学式: C₂₀H₂₅N₅O₂
• 分子量: 367.451
• InChiKey: SSNYNMWCDBKWTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  70.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-chloro-9-cyclopentyl-5-methyl-5,7,8,9-tetrahydro-6H-pyrimido[4,5-b][1,4]diazepin-6-one 、 间氨基苯甲醚 在 对甲苯磺酸 作用下， 以 4-甲基-2-戊醇 为溶剂， 反应 12.0h， 以59%的产率得到6-cyclopentyl-9-[(3-methoxyphenyl)amino]-2-methyl-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-3-one
  参考文献：
  名称：

  NOVEL COMPOUNDS

  摘要：

  提供了一个化合物的化学式(I)： 其制备方法，药物组合物以及在治疗中的用途。

  公开号：

  US20080009482A1

文献信息

• STRAIGHTFORWARD ENTRY TO 7-AZABICYCLO[2.2.1]HEPTANE-1-CARBONITRILES AND SUBSEQUENT SYNTHESIS OF EPIBATIDINE ANALOGUES
  申请人：STEVENS Christian

  公开号：US20090275616A1

  公开（公告）日：2009-11-05

  The present invention relates to a group of substituted-7-azabicyclo-[2.2.1]heptyl derivatives with biological activity. The present invention also relates to synthetic methods for producing said substituted-7-azabicyclo-[2.2.1]heptyl derivatives. The present invention also relates to certain intermediates for producing such substituted-7-azabicyclo-[2.2.1]heptyl derivatives, as well as a synthetic method for producing such intermediates. The present invention also relates to pharmaceutical compositions comprising such substituted-7-azabicyclo-[2.2.1]heptyl derivatives, as well as their use as medicaments for the treatment of diseases mediated by a Nicotinic Acetylcholine Receptor or a receptor being a member of the Neurotransmitter-gated Ion Channel Superfamily, such as pain, Alzheimer's disease, Parkinson's disease, schizophrenia, epilepsy and nicotine addiction.

  本发明涉及一组具有生物活性的取代-7-氮杂双环[2.2.1]庚基衍生物。本发明还涉及用于制备所述取代-7-氮杂双环[2.2.1]庚基衍生物的合成方法。本发明还涉及用于制备此类取代-7-氮杂双环[2.2.1]庚基衍生物的某些中间体，以及用于制备此类中间体的合成方法。本发明还涉及包含此类取代-7-氮杂双环[2.2.1]庚基衍生物的药物组合物，以及它们作为治疗由尼古丁乙酰胆碱受体或神经递质门控离子通道超家族成员介导的疾病的药物的用途，如疼痛、阿尔茨海默病、帕金森病、精神分裂症、癫痫和尼古丁成瘾。
• PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS
  申请人：Hollick Jonathan James

  公开号：US20110046093A1

  公开（公告）日：2011-02-24

  The present invention relates to a compound of formula (VII)I, or a pharmaceutically acceptable salt or ester thereof, wherein: X is NR 7 ; Y is O or N—(CH 2 ) n R 19 ; n is 1, 2 or 3; m is 1 or 2; R 1 and R 2 are each independently H, alkyl or cycloalkyl; R 4 and R 4′ each independently H alkyl; or R 4 and R 4′ together form a spiro cycloalkyl group; R 19 is H, alkyl, aryl or a cycloalkyl group; R 6 is OR 8 or halogen; and R 7 and R 8 are each independently H or alkyl. Further aspects relate to pharmaceutical compositions comprising said compounds and use therefore in the treatment of proliferative disorders and the like.

  本发明涉及一种化合物，其化学式为(VII)I，或其药学上可接受的盐或酯，其中：X为NR7；Y为O或N-(CH2)nR19；n为1、2或3；m为1或2；R1和R2各自独立地为H、烷基或环烷基；R4和R4′各自独立地为H烷基；或R4和R4′共同形成一个螺环烷基；R19为H、烷基、芳基或环烷基；R6为OR8或卤素；R7和R8各自独立地为H或烷基。此外，该发明还涉及包含上述化合物的制药组合物以及其在治疗增生性疾病等方面的用途。
• Pyrimidine derivatives as protein kinase inhibitors
  申请人：Cyclacel Limited

  公开号：EP2610256A1

  公开（公告）日：2013-07-03

  The present invention relates to 6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepine derivatives. Further aspects relate to pharmaceutical compositions comprising said compounds and use therefore in the treatment of proliferative disorders and the like.

  本发明涉及 6-氧代-6,7,8,9-四氢-5H-嘧啶并[4,5-b][1,4]二氮杂卓衍生物。此外，本发明还涉及包含上述化合物的药物组合物，以及这些组合物在治疗增殖性疾病等方面的用途。
• 1-SUBSTITUTED 2-AZABICYCLO [3.1.1] HEPTYL DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS FOR TREATING NEUROLOGIC DISORDERS
  申请人：Stevens Christian

  公开号：US20120245196A1

  公开（公告）日：2012-09-27

  This invention provides 2-azabicyclo[3.1.1]heptyl derivatives, and methods for producing them, which are useful therapeutic agents for preventing or treating central nervous system disorders and disease mediated by a Nicotinic Acetylcholine Receptor such as, but not limited to, Alzheimer's disease, Parkinson's disease, schizophrenia, epilepsy, dementia, pain and nicotine addiction.
• US7884125B2
  申请人：——

  公开号：US7884125B2

  公开（公告）日：2011-02-08