3-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2(1H)-one hydrochloride | 1403595-09-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2(1H)-one hydrochloride
• 英文别名: 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-2-one hydrochloride；3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride
• CAS: 1403595-09-4
• 化学式: C₈H₉F₃N₂O*ClH
• 分子量: 242.628
• InChiKey: ATIZGVDXSOWZJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.58
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  55.1
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2(1H)-one hydrochloride 、 6-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-5-methylbenzofuran-4-carboxylic acid 以 N,N-二甲基甲酰胺 为溶剂， 生成 6-[ethyl(oxan-4-yl)amino]-5-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-1-benzofuran-4-carboxamide
  参考文献：
  名称：

  Discovery of EBI-2511: A Highly Potent and Orally Active EZH2 Inhibitor for the Treatment of Non-Hodgkin’s Lymphoma

  摘要：

  A novel series of benzofuran derived EZH2 inhibitors were discovered through a scaffold hopping approach based on the clinical compound of EPZ-6438. Further rational structure activity relationship exploration and optimization led to the discovery of more potent EZH2 inhibitors with oral bioavailability in mice and rats. A lead compound EBI-2511 (compound 34) demonstrated excellent in vivo efficacy in Pfeiffer tumor Xenograft models in mouse and is under preclinical development for the treatment of cancers associated with EZH2 mutations.

  DOI：

  10.1021/acsmedchemlett.7b00437
• 作为产物：
  描述：

  三氟乙酰丙酮 在 palladium(II) hydroxide 盐酸 、 氢气 、 potassium carbonate 作用下， 以 甲醇 、 水 为溶剂， 反应 33.0h， 生成 3-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2(1H)-one hydrochloride
  参考文献：
  名称：

  [EN] SUBSTITUTED BENZENE COMPOUNDS
  [FR] COMPOSÉS DE BENZÈNES SUBSTITUÉS

  摘要：

  本发明涉及取代苯化合物。本发明还涉及含有这些化合物的药物组合物，以及通过向需要的受试者投与这些化合物和药物组合物来治疗癌症的方法。本发明还涉及利用这些化合物进行研究或其他非治疗目的的用途。

  公开号：

  WO2012142513A1

文献信息

• PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF
  申请人：SHANGHAI HAIHE PHARMACEUTICAL CO., LTD.

  公开号：US20190211010A1

  公开（公告）日：2019-07-11

  The present invention provides a pyrido five-element aromatic ring compound, and a preparation method therefor and a use thereof. The compound provided in the present invention has an inhibitory effect on wild-type and/or mutant EZH2, and is well positioned to become a novel anti-tumor drug or a drug for the treatment of autoimmune diseases.

  本发明提供了一种吡啶五元芳香环化合物，以及其制备方法和用途。本发明提供的化合物对野生型和/或突变型EZH2具有抑制作用，并有望成为一种新型抗肿瘤药物或治疗自身免疫疾病的药物。
• SUBSTITUTED BENZENE COMPOUNDS
  申请人：EPIZYME, INC.

  公开号：US20150284370A1

  公开（公告）日：2015-10-08

  The present invention relates to substituted benzene compounds. The present invention also relates to pharmaceutical compositions containing these compounds and methods of treating cancer by administering these compounds and pharmaceutical compositions to subjects in need thereof. The present invention also relates to the use of such compounds for research or other non-therapeutic purposes.

  本发明涉及取代苯基化合物。本发明还涉及含有这些化合物的制药组合物，以及通过将这些化合物和制药组合物用于需要此类治疗的受试者来治疗癌症的方法。本发明还涉及将这些化合物用于研究或其他非治疗目的的用途。
• ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED

  公开号：US20160102083A1

  公开（公告）日：2016-04-14

  This invention relates to novel compounds according to Formula (I) which are inhibitors of Enhancer of Zeste Homolog 2 (EZH2), to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy for the treatment of cancers.

  本发明涉及一种按照式（I）的新化合物，其为增强子酶同源物2（EZH2）的抑制剂，以及包含这些化合物的制药组合物、其制备过程以及它们在治疗癌症的疗法中的应用。
• Substituted benzene compounds
  申请人：Epizyme, Inc.

  公开号：US10092572B2

  公开（公告）日：2018-10-09

  The present invention relates to substituted benzene compounds. The present invention also relates to pharmaceutical compositions containing these compounds and methods of treating cancer by administering these compounds and pharmaceutical compositions to subjects in need thereof. The present invention also relates to the use of such compounds for research or other non-therapeutic purposes.

  本发明涉及取代苯化合物。本发明还涉及含有这些化合物的药物组合物，以及通过向有需要的受试者施用这些化合物和药物组合物来治疗癌症的方法。本发明还涉及将这些化合物用于研究或其它非治疗目的。
• Pyrido five-element aromatic ring compound, preparation method therefor and use thereof
  申请人：SHANGHAI HAIHE PHARMACEUTICAL CO., LTD.

  公开号：US10968215B2

  公开（公告）日：2021-04-06

  The present invention provides a pyrido five-element aromatic ring compound, and a preparation method therefor and a use thereof. The compound provided in the present invention has an inhibitory effect on wild-type and/or mutant EZH2, and is well positioned to become a novel anti-tumor drug or a drug for the treatment of autoimmune diseases.

  本发明提供了一种吡啶五元芳环化合物及其制备方法和用途。本发明提供的化合物对野生型和/或突变型EZH2具有抑制作用，完全可以成为一种新型抗肿瘤药物或治疗自身免疫性疾病的药物。