6-{2-[7-Benzyl-2-(2-trifluoromethyl-phenyl)-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-ylamino]-ethylamino}-nicotinonitrile | 544677-71-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 6-{2-[7-Benzyl-2-(2-trifluoromethyl-phenyl)-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-ylamino]-ethylamino}-nicotinonitrile
• 英文别名: 6-[2-[[7-benzyl-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
• CAS: 544677-71-6
• 化学式: C₂₉H₂₆F₃N₇
• 分子量: 529.568
• InChiKey: PUNAVBJOVCYUQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  89.8
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  7-benzyl-4-chloro-2-(2-trifluoromethyl-phenyl)-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidine 、 6-[(2-氨基乙基)氨基]吡啶-3-甲腈 以to yield the title compound as a yellow foam (76 mg, 58%)的产率得到6-{2-[7-Benzyl-2-(2-trifluoromethyl-phenyl)-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-ylamino]-ethylamino}-nicotinonitrile
  参考文献：
  名称：

  Pyrimidine-based compounds useful as GSK-3 inhibitors

  摘要：

  本发明提供了式(I)的化合物或其药学上可接受的衍生物。这些化合物是蛋白激酶的抑制剂，特别是哺乳动物蛋白激酶GSK-3的抑制剂。本发明还提供了包括本发明化合物的药学上可接受的组合物，以及利用这些化合物和组合物治疗各种蛋白激酶介导的疾病的方法。

  公开号：

  US20030199526A1

文献信息

• PYRIMIDINE-BASED COMPOUNDS USEFUL AS GSK-3 INHIBITORS
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP1474147A1

  公开（公告）日：2004-11-10
• [EN] PYRIMIDINE-BASED COMPOUNDS USEFUL AS GSK-3 INHIBITORS<br/>[FR] COMPOSES A BASE DE PYRIMIDINE UTILES EN TANT QU'INHIBITEURS DES GSK-3
  申请人：VERTEX PHARMA

  公开号：WO2003049739A1

  公开（公告）日：2003-06-19

  The present invention provides a compound of formula (I): (I), or a pharmaceutically acceptable derivative thereof. These compounds are inhibitors of protein kinases, particularly inhibitors of GSK-3 mammalian protein kinases. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of utilizing those compounds and compositions in the treatment of various protein kinase mediated disorders, such as diabetes, cancer, stroke and Alzheimer’s disease.