4-((3’-(((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-5’-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4'-methyl-[1,1'-biphenyl]-4-yl)methyl)morpholine 4-oxide | 1403256-09-6

• 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-((3’-(((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-5’-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4'-methyl-[1,1'-biphenyl]-4-yl)methyl)morpholine 4-oxide
• 英文别名: N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2H-thiopyran-4-yl)amino)-4,4'-dimethyl-[1,1'-biphenyl]-3-carboxamide；N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-[(4-oxidomorpholin-4-ium-4-yl)methyl]phenyl]benzamide
• CAS: 1403256-09-6
• 化学式: C₃₄H₄₄N₄O₅
• 分子量: 588.747
• InChiKey: DFUFSPNBWIOXPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  43
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  98
• 氢给体数：
  2
• 氢受体数：
  6

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  N-[(1,2-二氢-4,6-二甲基-2-氧代-3-吡啶基)甲基]-5-[乙基(四氢-2H-吡喃-4-基)氨基]-4-甲基-4'-(4-吗啉基甲基)-[1,1'-联苯]-3-甲酰胺	tazemetostat	1403254-99-8	C34H44N4O4	572.748
  5-溴-N-((4,6-二甲基-2-氧代-1,2-二氢吡啶-3-基)甲基)-3-(乙基(四氢-2H-吡喃-4-基)氨基)-2-甲基苯甲酰胺	5-bromo-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzamide	1403257-80-6	C23H30BrN3O3	476.413

反应信息

• 作为产物：
  描述：

  N-[(1,2-二氢-4,6-二甲基-2-氧代-3-吡啶基)甲基]-5-[乙基(四氢-2H-吡喃-4-基)氨基]-4-甲基-4'-(4-吗啉基甲基)-[1,1'-联苯]-3-甲酰胺 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以58%的产率得到4-((3’-(((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-5’-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4'-methyl-[1,1'-biphenyl]-4-yl)methyl)morpholine 4-oxide
  参考文献：
  名称：

  Aryl- or Heteroaryl-Substituted Benzene Compounds

  摘要：

  本发明涉及芳基或杂芳基取代的苯化合物。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：

  US20120264734A1

文献信息

• Combination therapy for treating cancer
  申请人：EPIZYME, INC.

  公开号：US10301290B2

  公开（公告）日：2019-05-28

  The present invention relates to compositions comprising inhibitors of human histone methyltransferase EZH2 and one or more other therapeutic agents, particularly anticancer agents such as prednisone, and methods of combination therapy for administering to subjects in need thereof for the treatment of cancer.

  本发明涉及包含人组蛋白甲基转移酶EZH2抑制剂和一种或多种其他治疗剂（特别是泼尼松等抗癌剂）的组合物，以及用于给需要其治疗癌症的受试者施用的联合治疗方法。
• Aryl-or heteroaryl-substituted benzene compounds
  申请人：Epizyme, Inc.

  公开号：US10420775B2

  公开（公告）日：2019-09-24

  The present invention relates to aryl- or heteroaryl-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.

  本发明涉及芳基或杂芳基取代的苯化合物。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。
• ARYL- OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS
  申请人：Epizyme, Inc.

  公开号：US20170119780A1

  公开（公告）日：2017-05-04

  The present invention relates to aryl- or heteroaryl-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.
• SALT FORM OF A HUMAN HISTONE METHYLTRANSFERASE EZH2 INHIBITOR
  申请人：Epizyme, Inc.

  公开号：US20170143729A1

  公开（公告）日：2017-05-25

  Provided herein is N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl (tetrahydro-2H-pyran-4-yl)amino)-4-methyl-4′-(morpholinomethyl)-[1,1′-biphenyl]-3-carboxamide hydrobromide. Also provided herein is a particular polymorph form of this compound.
• ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS
  申请人：Epizyme, Inc.

  公开号：US20170252349A1

  公开（公告）日：2017-09-07

  The present invention relates to aryl- or heteroaryl-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.