2-(1,3-Benzothiazol-2-yl)-2-pyrimidin-2-ylacetonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-(1,3-Benzothiazol-2-yl)-2-pyrimidin-2-ylacetonitrile
• 化学式: C₁₃H₈N₄S
• 分子量: 252.3
• InChiKey: KANJABNTAIRCFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  90.7
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Benzazole derivatives and their use as JNK modulators
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：EP1110957A1

  公开（公告）日：2001-06-27

  The present invention is related to benzazole derivatives according to formula I wherein X is O, S or NR0, G is selected from the group comprising or consisting of unsubstituted or substituted aryl or heteroaryl substituents, unsubstituted or substituted 3-8-membered saturated or unsaturated ring systems containing at least one heteroatom selected from N, O or S; said 3-8-membered ring system may be fused with a substituted or unsubstituted aryl or heteroaryl system thus providing a bicyclic system; notably for use as pharmaceutically active compounds. Said benzazole derivatives are efficient modulators of the JNK pathway, they are in particular efficient and selective inhibitors of JNK2 and/or 3. The present invention is furthermore related to certain novel benzazole derivatives of formula I.

  本发明涉及公式I中的苯并咪唑衍生物，其中X为O、S或NR0，G选自包括或由未取代或取代的芳基或杂芳基取代基，含有至少一个选自N、O或S的杂原子的未取代或取代的3-8元饱和或不饱和环系统的未取代或取代的3-8元环系统；该3-8元环系统可以与取代或未取代的芳基或杂芳基系统融合，从而提供一个双环系统；特别适用于作为药物活性化合物。所述苯并咪唑衍生物是JNK途径的有效调节剂，它们特别是JNK2和/或3的有效和选择性抑制剂。本发明还涉及公式I的某些新型苯并咪唑衍生物。