5-chloro-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2-ethyl-3-{ethyl[(1s,4s)-4-(dimethylamino)cyclohexyl]amino}benzamide | 1403591-22-9

• 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: 5-chloro-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2-ethyl-3-{ethyl[(1s,4s)-4-(dimethylamino)cyclohexyl]amino}benzamide
• CAS: 1403591-22-9
• 化学式: C₂₇H₃₉ClN₄O₂
• 分子量: 487.085
• InChiKey: PCENEMZLKOBYNZ-OYRHEFFESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.84
• 重原子数：
  34.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  68.44
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  5-chloro-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2-ethyl-3-{ethyl[4-(dimethylamino)cyclohexyl]amino}benzamide 以26%的产率得到5-chloro-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2-ethyl-3-{ethyl[(1r,4r)-4-(dimethylamino)cyclohexyl]amino}benzamide
  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

• Substituted Benzene Compounds
  申请人：Kuntz Kevin Wayne

  公开号：US20140142083A1

  公开（公告）日：2014-05-22

  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治疗的受试者的方法来治疗癌症。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使用。
• SUBSTITUTED BENZENE COMPOUNDS
  申请人：Epizyme, Inc.

  公开号：EP2697198B1

  公开（公告）日：2016-06-08
• INHIBITORS OF HUMAN EZH2, AND METHODS OF USE THEREOF
  申请人：Epizyme, Inc.

  公开号：EP2825161B1

  公开（公告）日：2019-01-02
• Inhibitors of Human EZH2, and Methods of Use Thereof
  申请人：Kuntz Kevin W.

  公开号：US20130040906A1

  公开（公告）日：2013-02-14

  The invention relates to inhibition of wild-type and certain mutant forms of human histone methyltransferase EZH2, the catalytic subunit of the PRC2 complex which catalyzes the mono- through tri-methylation of lysine 27 on histone H3 (H3-K27). In one embodiment the inhibition is selective for the mutant form of the EZH2, such that trimethylation of H3-K27, which is associated with certain cancers, is inhibited. The methods can be used to treat cancers including follicular lymphoma and diffuse large B-cell lymphoma (DLBCL). Also provided are methods for identifying small molecule selective inhibitors of the mutant forms of EZH2 and also methods for determining responsiveness to an EZH2 inhibitor in a subject.
• US20140275081A1
  申请人：——

  公开号：US20140275081A1

  公开（公告）日：2014-09-18