3-(4-fluorophenyl)-2-(pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine | 223738-94-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3-(4-fluorophenyl)-2-(pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine
• 英文别名: 3-(4-fluorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine
• CAS: 223738-94-1
• 化学式: C₁₈H₁₂FN₃
• 分子量: 289.312
• InChiKey: DPGNJQAIOXNWEY-UHFFFAOYSA-N

物化性质

• 沸点：
  467.4±45.0 °C(Predicted)
• 密度：
  1.296±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-fluorophenyl)-2-(pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine 在 3-peroxybenzoic acid 、 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 反应 2.33h， 生成 2-({4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}amino)propan-1-ol
  参考文献：
  名称：

  Design and Synthesis of 4-Azaindoles as Inhibitors of p38 MAP Kinase

  摘要：

  Inhibition of the biosynthesis of proinflammatory cytokines such as tumor necrosis factor and interleukin-1 via p38 has been an approach toward the development of a disease modifying agent for the treatment of chronic inflammation and autoimmune diseases. The development of a new core structure of p38 inhibitors, 3-(4-fluorophenyl)-2-(pyridin-4-yl)-1H-pyrrolo[3,2-b] pyridine, is described. X-ray crystallographic data of the lead bound to the active site of p38 was used to guide the optimization of the series. Specific focus was placed on modulating the physical properties of the core while maintaining potent inhibition of p38. These efforts identified 42c as a potent inhibitor of p38, which also possessed the required physical properties worthy of advanced studies.

  DOI：

  10.1021/jm0301787
• 作为产物：
  描述：

  异烟酸甲酯 在 三乙烯二胺 、 bis-triphenylphosphine-palladium(II) chloride 、 氢溴酸 、 sodium 、 对甲苯磺酸 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 39.0h， 生成 3-(4-fluorophenyl)-2-(pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine
  参考文献：
  名称：

  Design and Synthesis of 4-Azaindoles as Inhibitors of p38 MAP Kinase

  摘要：

  Inhibition of the biosynthesis of proinflammatory cytokines such as tumor necrosis factor and interleukin-1 via p38 has been an approach toward the development of a disease modifying agent for the treatment of chronic inflammation and autoimmune diseases. The development of a new core structure of p38 inhibitors, 3-(4-fluorophenyl)-2-(pyridin-4-yl)-1H-pyrrolo[3,2-b] pyridine, is described. X-ray crystallographic data of the lead bound to the active site of p38 was used to guide the optimization of the series. Specific focus was placed on modulating the physical properties of the core while maintaining potent inhibition of p38. These efforts identified 42c as a potent inhibitor of p38, which also possessed the required physical properties worthy of advanced studies.

  DOI：

  10.1021/jm0301787

文献信息

• P38 MAP kinase inhibitors
  申请人：Syntex (U.S.A.) LLC

  公开号：US06316464B1

  公开（公告）日：2001-11-13

  The present invention relates to compounds of Formula (I) that are p-38 MAP kinase inhibitors, pharmaceutical compositions containing them, methods for their use, and methods for preparing these compounds.

  本发明涉及式(I)化合物，它们是p-38 MAP激酶抑制剂，包含它们的药物组合物，使用它们的方法，以及制备这些化合物的方法。
• p38 MAP kinase inhibitors
  申请人：——

  公开号：US20010044538A1

  公开（公告）日：2001-11-22

  The present invention relates to compounds of Formula (I) 1 that are p-38 MAP kinase inhibitors, pharmaceutical compositions containing them, methods for their use, and methods for preparing these compounds.

  本发明涉及公式（I）1的化合物，它们是p-38 MAP激酶抑制剂，包含它们的制药组合物，使用它们的方法，以及制备这些化合物的方法。
• p38 map kinase inhibitors
  申请人：——

  公开号：US20020013354A1

  公开（公告）日：2002-01-31

  The present invention relates to compounds of Formula (I) 1 that are p-38 MAP kinase inhibitors, pharmaceutical compositions containing them, methods for their use, and methods for preparing these compounds.

  本发明涉及一种式（I）的化合物，该化合物是p-38 MAP激酶抑制剂，包含它们的制药组合物，使用它们的方法以及制备这些化合物的方法。
• Use of serum amyloid A gene in diagnosis and treatment of glaucoma and identification of anti-glaucoma agents
  申请人：Novartis AG

  公开号：EP2428210A1

  公开（公告）日：2012-03-14

  The present invention provides compositions and methods for treating glaucoma, methods for diagnosing glaucoma, and methods for identifying agents which may be useful in the treatment of glaucoma. More specifically, the present invention describes the use of agents that modulate the expression of serum amyloid A.

  本发明提供了治疗青光眼的组合物和方法、诊断青光眼的方法以及鉴定可能有助于治疗青光眼的制剂的方法。更具体地说，本发明描述了调节血清淀粉样蛋白 A 表达的制剂的用途。
• Medicament for treatment of liver cancer
  申请人：Zender Lars

  公开号：US10441577B2

  公开（公告）日：2019-10-15

  The invention provides a pharmaceutical composition comprising Sorafenib in combination with an inhibitor of a specific kinase inhibitor as a medicament for the treatment or prevention of liver cancer.

  本发明提供了一种药物组合物，该组合物由索拉非尼与一种特异性激酶抑制剂组合而成，作为治疗或预防肝癌的药物。