(2S)-1-({4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}amino)propan-2-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (2S)-1-({4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}amino)propan-2-ol
• 英文别名: (2S)-1-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl]amino]propan-2-ol
• 化学式: C₂₁H₁₉FN₄O
• 分子量: 362.406
• InChiKey: KCXCFBQZWGUDQC-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  73.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  异烟酸甲酯 在 三乙烯二胺 、 bis-triphenylphosphine-palladium(II) chloride 、 3-peroxybenzoic acid 、 氢溴酸 、 sodium 、 对甲苯磺酸 、 三氯氧磷 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 89.33h， 生成 (2S)-1-({4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}amino)propan-2-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

文献信息

• Medicament for the treatment of liver cancer
  申请人：Helmholtz-Zentrum für Infektionsforschung GmbH

  公开号：EP2543372A1

  公开（公告）日：2013-01-09

  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。
• 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。
• COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE
  申请人：Zack Donald Jeffrey

  公开号：US20110172206A1

  公开（公告）日：2011-07-14

  Compounds, compositions, kits and methods for treating conditions related to neurodegeneration or ocular disease, are disclosed.
• MEDICAMENT FOR TREATMENT OF LIVER CANCER
  申请人：Zender Lars

  公开号：US20150079154A1

  公开（公告）日：2015-03-19

  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.
• US8993615B2
  申请人：——

  公开号：US8993615B2

  公开（公告）日：2015-03-31