N-hydroxy-5-[4-oxo-4-(phenylamino)butyl]isoxazole-3-carboxamide | 1246465-28-0

• 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: N-hydroxy-5-[4-oxo-4-(phenylamino)butyl]isoxazole-3-carboxamide
• 英文别名: 5-(4-anilino-4-oxobutyl)-N-hydroxy-1,2-oxazole-3-carboxamide
• CAS: 1246465-28-0
• 化学式: C₁₄H₁₅N₃O₄
• 分子量: 289.291
• InChiKey: IHMBJSABRCKDDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ethyl 5-[4-oxo-4-(phenylamino)butyl]isoxazole-3-carboxylate 在 盐酸羟胺 、 potassium hydroxide 作用下， 以 乙醇 为溶剂， 以54%的产率得到N-hydroxy-5-[4-oxo-4-(phenylamino)butyl]isoxazole-3-carboxamide
  参考文献：
  名称：

  Design and synthesis of novel isoxazole-based HDAC inhibitors

  摘要：

  A series of isoxazole-based histone deacetylase (HDAC) inhibitors structurally related to SAHA were designed and synthesized. The isoxazole moiety was inserted in the vicinity of the Zn(2+)-binding group in order to check its participation in the coordinating process. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.06.035

文献信息

• Design and synthesis of novel isoxazole-based HDAC inhibitors
  作者：Paola Conti、Lucia Tamborini、Andrea Pinto、Laura Sola、Roberta Ettari、Ciro Mercurio、Carlo De Micheli

  DOI：10.1016/j.ejmech.2010.06.035

  日期：2010.9

  A series of isoxazole-based histone deacetylase (HDAC) inhibitors structurally related to SAHA were designed and synthesized. The isoxazole moiety was inserted in the vicinity of the Zn(2+)-binding group in order to check its participation in the coordinating process. (C) 2010 Elsevier Masson SAS. All rights reserved.