1-(2-hydroxy-1-(3-methoxyphenyl)ethyl)-4-(2-((tetrahydro-2H-pyran-4-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one | 1453848-81-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(2-hydroxy-1-(3-methoxyphenyl)ethyl)-4-(2-((tetrahydro-2H-pyran-4-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one
• 英文别名: 1-(2-hydroxy-1-(3-methoxyphenyl)ethyl)-4-(2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl)pyridin-2(1H)-one；1-[2-Hydroxy-1-(3-methoxyphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one；1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
• CAS: 1453848-81-1
• 化学式: C₂₃H₂₆N₄O₄
• 分子量: 422.484
• InChiKey: YYIUAXNJZZNNMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  712.4±70.0 °C(predicted)
• 密度：
  1.323±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  96.8
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (3-methoxyphenyl)magnesium bromide 在 四丁基氟化铵 、 双(三甲基硅烷基)氨基钾 、 三乙胺 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 仲丁醇 为溶剂， 反应 54.0h， 生成 1-(2-hydroxy-1-(3-methoxyphenyl)ethyl)-4-(2-((tetrahydro-2H-pyran-4-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one
  参考文献：
  名称：

  Discovery of Highly Potent, Selective, and Efficacious Small Molecule Inhibitors of ERK1/2

  摘要：

  Using structure-based design, a novel series of pyridone ERK1/2 inhibitors was developed. Optimization led to the identification of (S)-14k, a potent, selective, and orally bioavailable agent that inhibited tumor growth in mouse xenograft models. On the basis of its in vivo efficacy and preliminary safety profiles, (S)-14k was selected for further preclinical evaluation.

  DOI：

  10.1021/jm501921k

文献信息

• [EN] SERINE/THREONINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE LA SÉRINE / THRÉONINE KINASE
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2013130976A1

  公开（公告）日：2013-09-06

  Compounds of Formula I or a stereoisomer, tautomer, prodrug or pharmaceutically acceptable salt thereof are provided, which are useful for the treatment of hyperproliferative, pain and inflammatory diseases. Methods of using compounds of Formula I or a stereoisomer, tautomer, prodrug or pharmaceutically acceptable salt thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  提供了公式I或其立体异构体、互变异构体、前药或药用盐，这些化合物可用于治疗高增殖、疼痛和炎症性疾病。公开了使用公式I或其立体异构体、互变异构体、前药或药用盐在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗这些疾病或相关病理状况的方法。
• SERINE/THREONINE KINASE INHIBITORS
  申请人：Array BioPharma Inc.

  公开号：US20180127393A1

  公开（公告）日：2018-05-10

  Compounds of Formula I or a stereoisomer, tautomer, prodrug or pharmaceutically acceptable salt thereof are provided, which are useful for the treatment of hyperproliferative, pain and inflammatory diseases. Methods of using compounds of Formula I or a stereoisomer, tautomer, prodrug or pharmaceutically acceptable salt thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  提供了公式I或其立体异构体、互变异构体、前药或药物可接受的盐的化合物，用于治疗过度增殖、疼痛和炎症性疾病。公开了使用公式I或其立体异构体、互变异构体、前药或药物可接受的盐的化合物的方法，用于哺乳动物细胞中的体外、体内或原位诊断、预防或治疗此类疾病或相关病理条件。
• US8697715B2
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