tert-butyl 4-((3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-5-(((4-isopropyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-4-methylphenyl)ethynyl)piperidine-1-carboxylate

• 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: tert-butyl 4-((3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-5-(((4-isopropyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-4-methylphenyl)ethynyl)piperidine-1-carboxylate
• 英文别名: tert-butyl 4-[2-[3-[ethyl(oxan-4-yl)amino]-4-methyl-5-[(6-methyl-2-oxo-4-propan-2-yl-1H-pyridin-3-yl)methylcarbamoyl]phenyl]ethynyl]piperidine-1-carboxylate
• 化学式: C₃₇H₅₂N₄O₅
• 分子量: 632.8
• InChiKey: FIGQGOZASMUPLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  46
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  100
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-((3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-5-(((4-isopropyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-4-methylphenyl)ethynyl)piperidine-1-carboxylate 、 盐酸 、 1,4-二氧六环 、 methanol-dichloromethane 在 二氯甲烷 、 Sodium sulfate-III 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以to give the titled compound as a brownish solid (257 mg, 144% yield)的产率得到3-(Ethyl(tetrahydro-2H-pyran-4-yl)amino)-N-((4-isopropyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-5-(piperidin-4-ylethynyl)benzamide
  参考文献：
  名称：

  SUBSTITUTED BENZENE COMPOUNDS

  摘要：

  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。

  公开号：

  US20150284370A1

文献信息

• 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。
• [EN] SUBSTITUTED BENZENE COMPOUNDS<br/>[FR] COMPOSÉS DE BENZÈNE SUBSTITUÉ
  申请人：EPIZYME INC

  公开号：WO2014062733A2

  公开（公告）日：2014-04-24

  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.
• 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。