1,3-benzothiazol-2-yl[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile | 848344-39-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3-benzothiazol-2-yl[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile
• 英文别名: 2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile
• CAS: 848344-39-8
• 化学式: C₂₀H₁₄N₄O₂S
• 分子量: 374.423
• InChiKey: DOJMTDCTCJKZNL-UHFFFAOYSA-N

物化性质

• 沸点：
  602.3±65.0 °C(Predicted)
• 密度：
  1.350±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1,3-苯并噻唑-2-基(2-氯-4-嘧啶基)乙腈 、 4-甲氧基苯酚 在 caesium carbonate 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 生成 1,3-benzothiazol-2-yl[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile
  参考文献：
  名称：

  Benzazole derivatives and their use as jnk modulators

  摘要：

  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。

  公开号：

  US20030162794A1

文献信息

• METHOD OF INHIBITING THE EXPRESSION AND/OR THE ACTIVITY OF JNK
  申请人：Halazy Serge

  公开号：US20070259892A1

  公开（公告）日：2007-11-08

  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 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。
• 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。
• Therapeutic methods for type I diabetes
  申请人：Davis J. Roger

  公开号：US20060223807A1

  公开（公告）日：2006-10-05

  The invention relates to the treatment and prevention of type I diabetes. More specifically, the invention relates to compounds that treat or prevent the body's immune system from destroying β-cells (i.e., insulin-producing cells in the pancreatic islets of Langerhans) by inhibition of JNK2, selective inhibition of JNK2, or inhibition of the expression of the MAPK9 gene or gene product. In one embodiment, the present invention contemplates the diagnosis, identification, production, and use of compounds which modulate MAPK9 gene expression or the activity of the MAPK9 gene product including but not limited to, JNK2, the nucleic acid encoding MAPK9 and homologues, analogues, and deletions thereof, as well as antisense, ribozyme, triple helix, antibody, and polypeptide molecules as well as small inorganic molecules. The present invention contemplates a variety of pharmaceutical formulations and routes of administration for such compounds.

  本发明涉及 I 型糖尿病的治疗和预防。更具体地说，本发明涉及通过抑制 JNK2、选择性抑制 JNK2 或抑制 MAPK9 基因或基因产物的表达来治疗或防止机体免疫系统破坏 β 细胞（即胰岛中的胰岛素分泌细胞）的化合物。在一个实施方案中，本发明考虑诊断、鉴定、生产和使用调节 MAPK9 基因表达或 MAPK9 基因产物活性的化合物，包括但不限于 JNK2、编码 MAPK9 的核酸及其同源物、类似物和缺失物，以及反义、核糖酶、三重螺旋、抗体和多肽分子以及无机小分子。本发明考虑了此类化合物的各种药物制剂和给药途径。
• BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：EP1240164A1

  公开（公告）日：2002-09-18