4-methyl-3-((1-methyl-6-(pyrazin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)-N-(3-(trifluoromethyl)phenyl)benzamide | 940311-07-9

• 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: 4-methyl-3-((1-methyl-6-(pyrazin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)-N-(3-(trifluoromethyl)phenyl)benzamide
• 英文别名: 4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide；4-methyl-3-[(1-methyl-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
• CAS: 940311-07-9
• 化学式: C₂₅H₁₉F₃N₈O
• 分子量: 504.474
• InChiKey: NPNYLZWEJSSGBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-chloro-1-methyl-6-pyrazin-2-yl-1H-pyrazolo[3,4-d]pyrimidine 、 3-氨基-4-甲基-N-(3-(三氟甲基)苯基)苯甲酰胺 以 叔丁醇 为溶剂， 生成 4-methyl-3-((1-methyl-6-(pyrazin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)-N-(3-(trifluoromethyl)phenyl)benzamide
  参考文献：
  名称：

  3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors

  摘要：

  本发明涉及一种新的吡唑并[3,4-d]嘧啶化合物，其化学式为，在该式中，所有变量均如规范中定义的那样，以自由形式或盐形式存在，以及其制备方法，其作为药物的用途以及包含它们的药物。

  公开号：

  US20080275054A1

文献信息

• [EN] RECEPTOR TYROSINE KINASE INHIBITORS FOR TREATMENT OF PROTEIN KINASE MODULATION-RESPONSIVE DISEASE OR DISORDER<br/>[FR] INHIBITEURS DU RÉCEPTEUR DE LA TYROSINE KINASE POUR LE TRAITEMENT DE MALADIE OU DE TROUBLE SENSIBLE À LA MODULATION DE LA PROTÉINE KINASE
  申请人：US HEALTH

  公开号：WO2021050900A1

  公开（公告）日：2021-03-18

  Ephrin type receptor tyrosine kinase inhibitors, also known as Eph tyrosine kinase receptor inhibitors, for treating cancer, an inflammatory disease, an autoimmune disease, or a degenerative disease characterized at least in part by the abnormal activity or expression of the Eph receptor tyrosine kinase. The inhibitors are particularly useful for treating colorectal cancer.

  Ephrin类型受体酪氨酸激酶抑制剂，也被称为Eph酪氨酸激酶受体抑制剂，用于治疗癌症、炎症性疾病、自身免疫疾病或部分特征为Eph受体酪氨酸激酶异常活性或表达的退行性疾病。这些抑制剂特别适用于治疗结直肠癌。
• Optimization of the Lead Compound NVP‐BHG712 as a Colorectal Cancer Inhibitor
  作者：Alix Tröster、Michael DiPrima、Nathalie Jores、Denis Kudlinzki、Sridhar Sreeramulu、Santosh L. Gande、Verena Linhard、Damian Ludig、Alexander Schug、Krishna Saxena、Maria Reinecke、Stephanie Heinzlmeir、Matthias S. Leisegang、Jan Wollenhaupt、Frank Lennartz、Manfred S. Weiss、Bernhard Kuster、Giovanna Tosato、Harald Schwalbe

  DOI：10.1002/chem.202203967

  日期：——

  Towards controlling colon carcinoma: Derivatives of the compound NVP-BHG712 as well as triazine-based molecules prove to be potent inhibitors of the receptor tyrosine kinase EPHA2. Several of these newly synthesized inhibitors showed highly promising effects in controlling human colon carcinoma. Furthermore, these molecules can act as tool compounds to gain a deeper understanding of the role of ephrin

  控制结肠癌：化合物 NVP-BHG712 的衍生物以及三嗪基分子被证明是受体酪氨酸激酶 EPHA2 的有效抑制剂。这些新合成的抑制剂中的几种在控制人类结肠癌方面显示出非常有希望的效果。此外，这些分子可以充当工具化合物，以更深入地了解肝配蛋白受体在细胞环境中的作用。
• 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS
  申请人：Novartis AG

  公开号：EP1963327A1

  公开（公告）日：2008-09-03
• RECEPTOR TYROSINE KINASE INHIBITORS FOR TREATMENT OF PROTEIN KINASE MODULATION-RESPONSIVE DISEASE OR DISORDER
  申请人：THE UNITED STATES OF AMERICA, as represented by the Secretary, Department of Health and Human Servi

  公开号：US20220194943A1

  公开（公告）日：2022-06-23

  Ephrin type receptor tyrosine kinase inhibitors, also known as Eph tyrosine kinase receptor inhibitors, for treating cancer, an inflammatory disease, an autoimmune disease, or a degenerative disease characterized at least in part by the abnormal activity or expression of the Eph receptor tyrosine kinase. The inhibitors are particularly useful for treating certain cancers.
• [EN] 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS<br/>[FR] PYRAZOLO[3,4-D]PYRIMIDINES A SUBSTITUTION AMINO EN POSITION 3 EN TANT QU'INHIBITEURS DE KINASE D'EPBH ET DE VEGFR2
  申请人：NOVARTIS AG

  公开号：WO2007062805A1

  公开（公告）日：2007-06-07

  [EN] The invention relates to novel pyrazolo[3,4-d]pyrimidines of the formula in which all of the variables are as defined in the specification, in free form or in salt form, to their preparation, to their use as medicaments and to medicaments comprising them.
  [FR] La présente invention a trait à de nouvelles pyrazolo[3,4-d]pyrimidines de formule (I) dans laquelle tous les variables sont tels que définis dans la description, en forme libre ou sous forme de sel, à leur préparation, à leur utilisation en tant que médicaments et à des médicaments en comportant.