3-(4-fluorophenyl)-1-hydroxy-2-(pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine | 223738-89-4

• 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)-1-hydroxy-2-(pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine
• 英文别名: 3-(4-fluorophenyl)-2-pyridin-4-yl-pyrrolo[3,2-b]pyridin-1-ol；3-(4-fluorophenyl)-1-hydroxy-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
• CAS: 223738-89-4
• 化学式: C₁₈H₁₂FN₃O
• 分子量: 305.311
• InChiKey: ZSMYZLKEZDYVPI-UHFFFAOYSA-N

物化性质

• 沸点：
  507.5±60.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 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：
  50.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  氯甲烷 、 3-(4-fluorophenyl)-1-hydroxy-2-(pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-(4-fluorophenyl)-1-methoxy-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
• 作为产物：
  描述：

  异烟酸甲酯 在 吡啶 、 氢溴酸 、 sodium 、 sodium hydride 、 tin(ll) chloride 作用下， 以 乙醇 、 二氯甲烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 3-(4-fluorophenyl)-1-hydroxy-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。
• 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES
  申请人：Selles Patrice

  公开号：US20100184598A1

  公开（公告）日：2010-07-22

  The present invention relates to a method of preventing and/or controlling fungal infection in plants and/or plant propagation material comprising applying to the plant or plant propagation material a fungicidally effective amount of a compound of formula (I) or a salt of N-oxide thereof. In addition, the present invention also relates to a compound of formula (I).

  本发明涉及一种防止和/或控制植物和/或植物繁殖材料真菌感染的方法，包括向植物或植物繁殖材料施加化合物(I)或其N-氧化物盐的杀菌有效量。此外，本发明还涉及化合物(I)的一种。
• 4-aza indole derivatives and their use as fungicides
  申请人：Syngenta Crop Protection, Inc.

  公开号：US08084395B2

  公开（公告）日：2011-12-27

  The present invention relates to a method of preventing and/or controlling fungal infection in plants and/or plant propagation material comprising applying to the plant or plant propagation material a fungicidally effective amount of a compound of formula (I) or a salt of N-oxide thereof. In addition, the present invention also relates to a compound of formula (I).

  本发明涉及一种防止和/或控制植物和/或植物繁殖材料真菌感染的方法，包括向植物或植物繁殖材料施加化合物(I)或其N-氧化物盐的杀菌有效量。此外，本发明还涉及化合物(I)的一种。