1,3-苯并噻唑-2-基(2-氯-4-嘧啶基)乙腈 | 345986-38-1

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 1,3-苯并噻唑-2-基(2-氯-4-嘧啶基)乙腈
• 中文别名: 2-(苯并[d]噻唑-2-基)-2-(2-氯嘧啶-4-基)乙腈
• 英文名称: 1,3-benzothiazol-2-yl(2-chloro-4-pyrimidinyl)-acetonitrile
• 英文别名: benzothiazol-2-yl-(2-chloro-pyrimidin-4-yl)-acetonitrile；2-(Benzo[d]thiazol-2-yl)-2-(2-chloropyrimidin-4-yl)acetonitrile；2-(1,3-benzothiazol-2-yl)-2-(2-chloropyrimidin-4-yl)acetonitrile
• CAS: 345986-38-1
• 化学式: C₁₃H₇ClN₄S
• 分子量: 286.744
• InChiKey: QVMKLKBODZHJDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 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

反应信息

• 作为反应物：
  描述：

  1,3-苯并噻唑-2-基(2-氯-4-嘧啶基)乙腈 在 sodium hydride 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 5.0h， 生成 1,3-benzothiazol-2-yl-{2-[(5-morpholin-4-ylpyridin-3-yl)methoxy]pyrimidin-4-yl}acetonitrile methanesulfonate
  参考文献：
  名称：

  Benzothiazole Formulations and Use Thereof

  摘要：

  本发明涉及含有苯并噻唑衍生物的大聚乙二醇甘油酯制剂。具体地，本发明涉及苯并噻唑硬脂酰大聚乙二醇制剂，其制备方法和用途。

  公开号：

  US20080051397A1
• 作为产物：
  描述：

  2,4-二氯嘧啶 、 苯并噻唑-2-乙腈 以84的产率得到1,3-苯并噻唑-2-基(2-氯-4-嘧啶基)乙腈
  参考文献：
  名称：

  Method of inhibiting the expression and/or the activity of JNK

  摘要：

  本发明涉及苯并咪唑衍生物，特别是作为药物活性化合物的苯并咪唑衍生物，以及含有这种苯并咪唑衍生物的制药配方。所述苯并咪唑衍生物是JNK途径的高效调节剂，特别是JNK2和/或3的高效选择性抑制剂。本发明还涉及新型苯并咪唑衍生物以及它们的制备方法。X为O，S或NR0，其中R0为H或未取代或取代的C1-C6烷基；G为未取代或取代的嘧啶基团。

  公开号：

  US07470686B2

文献信息

• [EN] PIPERAZINE BENZOTHIAZOLES AS AGENTS FOR THE TREATMENT OF CEREBRAL ISCHEMIC DISORDERS OR CNS DISORDERS<br/>[FR] PIPERAZINE BENZOTHIAZOLES UTILISES COMME AGENTS POUR LE TRAITEMENT DE TROUBLES ISCHEMIQUES CEREBRAUX OU DE TROUBLES DU SYSTEME NERVEUX CENTRAL (SNC)
  申请人：APPLIED RESEARCH SYSTEMS

  公开号：WO2003091249A1

  公开（公告）日：2003-11-06

  The present invention is related to piperazine benzothiazole derivatives, notably for use in the treatment and/or prophylaxis of cerebral ischemic disorders or CNS disorders. The present invention is furthermore related to methods of their preparation.

  本发明涉及哌嗪苯并噻唑衍生物，特别是用于治疗和/或预防脑缺血性疾病或中枢神经系统疾病。本发明还涉及它们的制备方法。
• Benzazole derivatives and their use as jnk modulators
  申请人：——

  公开号：US20030162794A1

  公开（公告）日：2003-08-28

  The present invention is related to benzazole derivatives notably for use as pharmaceutically active compounds, as well as to pharmaceutical formulations containing such benzazole derivatives. 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 novel benzazole derivatives as well as to methods of their preparation. 1 X is O, S or NR 0 , with R 0 being H or an unsubstituted or substituted C 1 -C 6 alkyl; G is an unsubstituted or substituted pyrimidinyl group.

  本发明涉及苯唑衍生物，特别用作药用活性化合物，以及含有该类苯唑衍生物的药物配方。所述苯唑衍生物是JNK途径的高效调节剂，特别是JNK2和/或3的高效和选择性抑制剂。本发明还涉及新型苯唑衍生物以及它们的制备方法。其中1X为O、S或NR0，其中R0为H或未取代或取代的C1-C6烷基；G为未取代或取代的嘧啶基团。
• Method of inhibiting the expression and/or the activity of JNK
  申请人：Laboratoires Serono SA

  公开号：US07470686B2

  公开（公告）日：2008-12-30

  The present invention is related to benzazole derivatives notably for use as pharmaceutically active compounds, as well as to pharmaceutical formulations containing such benzazole derivatives. 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 novel benzazole derivatives as well as to methods of their preparation. X is O, S or NR0, with R0 being H or an unsubstantiated or substituted C1-C6 alkyl; G is an unsubstantiated or substituted pyrimidinyl group.

  本发明涉及苯并咪唑衍生物，特别是作为药物活性化合物的苯并咪唑衍生物，以及含有这种苯并咪唑衍生物的制药配方。所述苯并咪唑衍生物是JNK途径的高效调节剂，特别是JNK2和/或3的高效选择性抑制剂。本发明还涉及新型苯并咪唑衍生物以及它们的制备方法。X为O，S或NR0，其中R0为H或未取代或取代的C1-C6烷基；G为未取代或取代的嘧啶基团。
• 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。
• Piperazine benzothiazoles as agents for the treatment of cerebral ischemic disorders or cns disorders
  申请人：Gaillard Pascale

  公开号：US20050261304A1

  公开（公告）日：2005-11-24

  The present invention is related to piperazine henzothiazole derivatives, notably for use in the treatment and/or prophylaxis of cerebral ischemic disorders or CNS disorders. The present invention is furthermore related to methods of their preparation.

  本发明涉及哌嗪苯并噻唑衍生物，特别是用于治疗和/或预防脑缺血性疾病或中枢神经系统疾病。本发明还涉及其制备方法。