N-[2-({4-[1,3-benzothiazol-2-yl(cyano)methyl]pyrimidin-2-yl}amino)ethyl]-4-chlorobenzamide | 866916-21-4

• 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: N-[2-({4-[1,3-benzothiazol-2-yl(cyano)methyl]pyrimidin-2-yl}amino)ethyl]-4-chlorobenzamide
• 英文别名: N-[2-([4-[1,3-benzothiazol-2-yl(cyano)methyl]pyrimidin-2-yl]amino)ethyl]-4-chlorobenzamide；N-[2-[[4-[1,3-benzothiazol-2-yl(cyano)methyl]pyrimidin-2-yl]amino]ethyl]-4-chlorobenzamide
• CAS: 866916-21-4
• 化学式: C₂₂H₁₇ClN₆OS
• 分子量: 448.936
• InChiKey: GWVDAJHAZOYPFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  {2-[(2-aminoethyl)amino]pyrimidin-4-yl}(1,3-benzothiazol-2-yl)acetonitrile 、 4-氯苯甲酰氯 、 三乙胺 在 二氯甲烷 、 乙腈 作用下， 以 Dcm dmf 3 为溶剂， 反应 19.0h， 以98 mg (68%) of the title compound (base) was obtained as a yellow powder的产率得到N-[2-({4-[1,3-benzothiazol-2-yl(cyano)methyl]pyrimidin-2-yl}amino)ethyl]-4-chlorobenzamide
  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，特别是用作药物活性化合物，以及包含这种苯并咪唑衍生物的制药配方。这些苯并咪唑衍生物是JNK途径的有效调节剂，特别是JNK2和/或3的有效和选择性抑制剂。本发明还涉及新型苯并咪唑衍生物及其制备方法。其中，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：

  US20070259892A1

文献信息

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

  公开号：US07259162B2

  公开（公告）日：2007-08-21

  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 unsubstituted or substituted C1-C6 alkyl; G is an unsubstituted or substituted pyrimidinyl group.

  本发明涉及苯并咪唑衍生物，特别是用作药物活性化合物的苯并咪唑衍生物，以及包含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通路的有效调节剂，它们特别是JNK2和/或3的有效和选择性抑制剂。本发明还涉及新的苯并咪唑衍生物以及它们的制备方法。其中，X是O、S或NR0，其中R0是H或未取代或取代的C1-C6烷基；G是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.

  本发明涉及苯唑衍生物，特别是用作药物活性化合物，以及含有这种苯唑衍生物的制药配方。所述苯唑衍生物是JNK通路的高效调节剂，它们特别是JNK2和/或3的高效且选择性的抑制剂。本发明还涉及新型苯唑衍生物以及其制备方法。其中，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：EP1240164B1

  公开（公告）日：2003-11-12
• BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES
  申请人：Laboratoires Serono SA

  公开号：EP1696909B1

  公开（公告）日：2007-11-14