(2E,4E)-4-methyl-6-(4-propan-2-ylphenoxy)hexa-2,4-dienoic acid | 1265584-82-4

• 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: (2E,4E)-4-methyl-6-(4-propan-2-ylphenoxy)hexa-2,4-dienoic acid
• CAS: 1265584-82-4
• 化学式: C₁₆H₂₀O₃
• 分子量: 260.333
• InChiKey: FNUDFWLPQNOQED-HTKXOECOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  ethyl (2E,4E)-6-(4-isopropylphenoxy)-4-methylhexa-2,4-dienoate 在 水 、 lithium hydroxide 作用下， 以 乙醇 为溶剂， 反应 8.0h， 生成 (2E,4E)-4-methyl-6-(4-propan-2-ylphenoxy)hexa-2,4-dienoic acid
  参考文献：
  名称：

  Design and synthesis of aryl ether and sulfone hydroxamic acids as potent histone deacetylase (HDAC) inhibitors

  摘要：

  A series of novel hydroxamic acid based histone deacetylases (HDAC) inhibitors with aryl ether and aryl sulfone residues at the terminus of a substituted, unsaturated 5-carbon spacer moiety have been synthesized for the first time and evaluated. Compounds with meta-and para-substitution on the aryl ring of ether hydroxamic acids 19c, 20c, 19e, 19f and 19g are potent HDAC inhibitors with activities at low nanomolar levels. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.006

文献信息

• Design and synthesis of aryl ether and sulfone hydroxamic acids as potent histone deacetylase (HDAC) inhibitors
  作者：Chittari Pabba、Brian T. Gregg、Douglas B. Kitchen、Zhen Jia Chen、Angela Judkins

  DOI：10.1016/j.bmcl.2010.11.006

  日期：2011.1

  A series of novel hydroxamic acid based histone deacetylases (HDAC) inhibitors with aryl ether and aryl sulfone residues at the terminus of a substituted, unsaturated 5-carbon spacer moiety have been synthesized for the first time and evaluated. Compounds with meta-and para-substitution on the aryl ring of ether hydroxamic acids 19c, 20c, 19e, 19f and 19g are potent HDAC inhibitors with activities at low nanomolar levels. (C) 2010 Elsevier Ltd. All rights reserved.