N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide | 1313880-28-2

• 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-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide
• 英文别名: N-(4-{5-[3-(Acetylamino)phenyl]-2-(2-Aminopyridin-3-Yl)-3h-Imidazo[4,5-B]pyridin-3-Yl}benzyl)-3-Fluorobenzamide；N-[[4-[5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
• CAS: 1313880-28-2
• 化学式: C₃₃H₂₆FN₇O₂
• 分子量: 571.614
• InChiKey: WFDHLKUQFQCHKF-UHFFFAOYSA-N

物化性质

• 熔点：
  174-187 °C
• 密度：
  1.36±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  128
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-乙酰胺基苯硼酸 在 盐酸 、 四(三苯基膦)钯 、 碳酸氢钠 、 N,N'-羰基二咪唑 作用下， 以 1,4-二氧六环 、 乙醇 、 水 、 乙酸乙酯 、 二甲胺 、 甲苯 为溶剂， 反应 4.0h， 生成 N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide
  参考文献：
  名称：

  Discovery and Optimization of a Series of 3-(3-Phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: Orally Bioavailable, Selective, and Potent ATP-Independent Akt Inhibitors

  摘要：

  This paper describes the implementation of a biochemical and biophysical screening strategy to identify and optimize small molecule Akt1 inhibitors that act through a mechanism distinct from that observed for kinase domain ATP-competitive inhibitors. With the aid of an unphosphorylated Akt1 cocrystal structure of 12j solved at 2.25 A, it was possible to confirm that as a consequence of binding these novel inhibitors, the ATP binding cleft contained a number of hydrophobic residues that occlude ATP binding as expected. These Akt inhibitors potently inhibit intracellular Akt activation and its downstream target (PRAS40) in vitro. In vivo pharmacodynamic and pharmacokinetic studies with two examples, 12e and 12j, showed the series to be similarly effective at inhibiting the activation of Akt and and additional downstream effector (p70S6) following oral dosing in mice.

  DOI：

  10.1021/jm300276x

文献信息

• Substituted Imidazopyridinyl-Aminopyridine Compounds
  申请人：Ashwell Mark A.

  公开号：US20110172203A1

  公开（公告）日：2011-07-14

  The present invention relates to substituted imidazopyridinyl-aminopyridine compounds and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing substituted imidazopyridinyl-aminopyridine compounds and methods of treating cell proliferative disorders, such as cancer, by administering these compounds and pharmaceutical compositions to subjects in need thereof.

  本发明涉及取代咪唑吡啶基-氨基吡啶化合物及合成这些化合物的方法。本发明还涉及含有取代咪唑吡啶基-氨基吡啶化合物的药物组合物，以及通过向需要的受试者施用这些化合物和药物组合物来治疗细胞增殖性疾病，如癌症的方法。
• [EN] METHODS FOR TREATING CANCER<br/>[FR] MÉTHODES DE TRAITEMENT DU CANCER
  申请人：SCORPION THERAPEUTICS INC

  公开号：WO2022094271A1

  公开（公告）日：2022-05-05

  This disclosure provides chemical entities of formula (I) (e.g., a compound or a pharmaceutically acceptable salt, and/or hydrate, and/ or cocrystal, and/or drug combination of the compound) that inhibit epidermal growth factor receptor (EGFR, ERBB 1) and/or Human epidermal growth factor receptor 2 (HER2, ERBB2). These chemical entities are useful, e.g., for treating a condition, disease or disorder in which increased (e.g., excessive) EGFR and/or HER2 activation contributes to the pathology and/or symptoms and/or progression of the condition, disease or disorder (e.g., cancer) in a subject (e.g., a human). This disclosure also provides compositions containing the same as well as methods of using and making the same.

  本公开提供化学实体的公式（I）（例如，化合物或药学上可接受的盐，和/或水合物，和/或共晶体，和/或该化合物的药物组合），该化学实体可以抑制表皮生长因子受体（EGFR，ERBB1）和/或人类表皮生长因子受体2（HER2，ERBB2）。这些化学实体是有用的，例如，用于治疗某种情况，疾病或障碍，其中EGFR和/或HER2的增加（例如过度）对病理学和/或症状和/或情况，疾病或障碍的进展有贡献（例如癌症）在受试者（例如人类）中。本公开还提供包含相同物质的组合物以及使用和制备相同物质的方法。
• [EN] USE OF MACROCYCLIC COMPOUNDS IN METHODS OF TREATING CANCER<br/>[FR] UTILISATION DE COMPOSÉS MACROCYCLIQUES DANS DES MÉTHODES DE TRAITEMENT DE CANCER
  申请人：SCORPION THERAPEUTICS INC

  公开号：WO2022098992A1

  公开（公告）日：2022-05-12

  This disclosure provides chemical entities (e.g., a compound or a pharmaceutically acceptable salt, and/or hydrate, and/or cocrystal, and/or drug combination of the compound) that inhibit epidermal growth factor receptor (EGFR, ERBB1) and/or Human epidermal growth factor receptor 2 (HER2, ERBB2). These chemical entities are useful, e.g., for treating a condition, disease or disorder in which increased (e.g., excessive) EGFR and/or HER2 activation contributes to the pathology and/or symptoms and/or progression of the condition, disease or disorder (e.g., cancer) in a subject (e.g., a human). This disclosure also provides compositions containing the same as well as methods of using and making the same.

  本公开提供化合物（例如，化合物或药物可接受的盐，和/或水合物，和/或共晶体，和/或化合物的药物组合物），其抑制表皮生长因子受体（EGFR，ERBB1）和/或人类表皮生长因子受体2（HER2，ERBB2）。这些化合物是有用的，例如，用于治疗某种情况，疾病或障碍，在该情况，疾病或障碍中增加（例如过度）的EGFR和/或HER2激活对该情况，疾病或障碍的病理生理和/或症状和/或进展有贡献的受试者（例如，人类）。本公开还提供包含相同物质的组合物以及使用和制备相同物质的方法。
• SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS
  申请人：ArQule, Inc.

  公开号：EP2519522A2

  公开（公告）日：2012-11-07
• METHODS AND MATERIALS FOR ASSESSING AND TREATING CANCER
  申请人：The Johns Hopkins University

  公开号：EP3665308A1

  公开（公告）日：2020-06-17