N4-hydroxy-N1-methylbenzene-1,4-dicarboxamide | 1423058-84-7

• 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: N4-hydroxy-N1-methylbenzene-1,4-dicarboxamide
• 英文别名: 4-N-hydroxy-1-N-methylbenzene-1,4-dicarboxamide
• CAS: 1423058-84-7
• 化学式: C₉H₁₀N₂O₃
• 分子量: 194.19
• InChiKey: PVWFSNDIULQQLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  78.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对苯二甲酸单甲酯 在 羟胺 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 N4-hydroxy-N1-methylbenzene-1,4-dicarboxamide
  参考文献：
  名称：

  Potent and Selective Inhibition of Histone Deacetylase 6 (HDAC6) Does Not Require a Surface-Binding Motif

  摘要：

  Hydroxamic acids were designed, synthesized, and evaluated for their ability to selectively inhibit human histone deacetylase 6 (HDAC6). Several inhibitors, including compound 14 (BRD9757), exhibited excellent potency and selectivity despite the absence of a surface-binding motif. The binding of these highly efficient ligands for HDAC6 is rationalized via structure-activity relationships. These results demonstrate that high selectivity and potent inhibition of HDAC6 can be achieved through careful choice of linker element only.

  DOI：

  10.1021/jm301355j

文献信息

• [EN] HISTONE DEACETYLASE 6 INHIBITORS AND USE THEREOF<br/>[FR] INHIBITEURS DE L'HISTONE DÉSACÉTYLASE 6 ET LEURS UTILISATIONS
  申请人：DCB-USA LLC

  公开号：WO2017200966A1

  公开（公告）日：2017-11-23

  Disclosed is hydroxamic acid compounds of Formula (I) set forth herein. Also disclosed are a pharmaceutical composition containing such a compound and a method of using the compound for treating a condition associated with histone deacetylase 6.

  本文披露了本文所述的化学式（I）的羟羧酰胺化合物。还披露了含有这种化合物的药物组合物以及使用该化合物治疗与组蛋白去乙酰化酶6相关的疾病的方法。
• [EN] HISTONE DEACETYLASE 6 INHIBITORS AND METHOD FOR TREATING NEUROPATHIC PAIN<br/>[FR] INHIBITEURS D'HISTONE DÉSACÉTYLASE 6 ET MÉTHODE DE TRAITEMENT DE LA DOULEUR NEUROPATHIQUE
  申请人：UNIV TAIPEI MEDICAL

  公开号：WO2021013163A1

  公开（公告）日：2021-01-28

  Disclosed herein are hydroxamic acid compounds. Also disclosed is a method of using the hydroxamic acid compounds for treating a condition associated with histone deacetylase 6.

  本文披露了羟羧酰胺类化合物。同时还披露了一种利用这些羟羧酰胺类化合物治疗与组蛋白去乙酰化酶6相关病症的方法。
• Potent and Selective Inhibition of Histone Deacetylase 6 (HDAC6) Does Not Require a Surface-Binding Motif
  作者：Florence F. Wagner、David E. Olson、Jennifer P. Gale、Taner Kaya、Michel Weïwer、Nadia Aidoud、Méryl Thomas、Emeline L. Davoine、Bérénice C. Lemercier、Yan-Ling Zhang、Edward B. Holson

  DOI：10.1021/jm301355j

  日期：2013.2.28

  Hydroxamic acids were designed, synthesized, and evaluated for their ability to selectively inhibit human histone deacetylase 6 (HDAC6). Several inhibitors, including compound 14 (BRD9757), exhibited excellent potency and selectivity despite the absence of a surface-binding motif. The binding of these highly efficient ligands for HDAC6 is rationalized via structure-activity relationships. These results demonstrate that high selectivity and potent inhibition of HDAC6 can be achieved through careful choice of linker element only.