butyl (2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: butyl (2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienoate
• 化学式: C₁₃H₂₀O₂
• 分子量: 208.3
• InChiKey: JYLJHYPKKHVTMK-HQBPLYTQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• [EN] INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE PROTÉINE MÉTHYLTRANSFÉRASE DE DOT1L ET LEURS PROCÉDÉS D'UTILISATION
  申请人：EPIZYME INC

  公开号：WO2014026198A1

  公开（公告）日：2014-02-13

  The present invention relates to DOT1L inhibitors and methods of identifying, designing, or optimizing them. The present invention also relates to crystals of DOT1L- inhibitor complexes, the crystal structures thereof, and the use of the crystal structures. Also disclosed are pharmaceutical compositions containing these DOT1L inhibitors and methods of treating disorders in which DOT1-mediated protein methylation plays a part, such as cancer and neurological disorders, by administering these compounds and pharmaceutical compositions to subjects in need thereof.