3-Chloro-4-(3-chloro-2-cyanophenoxy)benzoic acid | 1495854-85-7

• 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: 3-Chloro-4-(3-chloro-2-cyanophenoxy)benzoic acid
• CAS: 1495854-85-7
• 化学式: C₁₄H₇Cl₂NO₃
• 分子量: 308.12
• InChiKey: FLRGJDOHCZZBBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2,6,6-四甲基哌啶胺 、 3-Chloro-4-(3-chloro-2-cyanophenoxy)benzoic acid 在 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.5h， 生成 3-chloro-4-(3-chloro-2-cyanophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
  参考文献：
  名称：

  Discovery and Optimization of Tetramethylpiperidinyl Benzamides as Inhibitors of EZH2

  摘要：

  The identification and development of a novel series of small molecule Enhancer of Zeste Homologue 2 (EZH2) inhibitors is described. A concise and modular synthesis enabled the rapid development of structure activity relationships, which led to the identification of 44 as a potent, SAM-competitive inhibitor of EZH2 that dose-dependently decreased global H3K27me3 in KARPAS-422 lymphoma cells.

  DOI：

  10.1021/ml400494b

文献信息

• Discovery and Optimization of Tetramethylpiperidinyl Benzamides as Inhibitors of EZH2
  作者：Christopher G. Nasveschuk、Alexandre Gagnon、Shivani Garapaty-Rao、Srividya Balasubramanian、Robert Campbell、Christina Lee、Feng Zhao、Louise Bergeron、Richard Cummings、Patrick Trojer、James E. Audia、Brian K. Albrecht、Jean-Christophe P. Harmange

  DOI：10.1021/ml400494b

  日期：2014.4.10

  The identification and development of a novel series of small molecule Enhancer of Zeste Homologue 2 (EZH2) inhibitors is described. A concise and modular synthesis enabled the rapid development of structure activity relationships, which led to the identification of 44 as a potent, SAM-competitive inhibitor of EZH2 that dose-dependently decreased global H3K27me3 in KARPAS-422 lymphoma cells.