5-[1-(p-tert-butyl-benzyl)-1H-1,2,3-triazol-4-yl]-N-hydroxypentanamide | 1354943-14-8

• 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: 5-[1-(p-tert-butyl-benzyl)-1H-1,2,3-triazol-4-yl]-N-hydroxypentanamide
• 英文别名: 5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide
• CAS: 1354943-14-8
• 化学式: C₁₈H₂₆N₄O₂
• 分子量: 330.43
• InChiKey: OJBKBTKOMAPVTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  80
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-庚炔酸 在 sodium azide 、 copper(ll) sulfate pentahydrate 、 羟胺 、 sodium ascorbate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 水 、 正丁醇 为溶剂， 反应 25.17h， 生成 5-[1-(p-tert-butyl-benzyl)-1H-1,2,3-triazol-4-yl]-N-hydroxypentanamide
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of novel histone deacetylase 1 inhibitors through click chemistry

  摘要：

  We report the design, synthesis, and biological evaluation of a new series of HDAC1 inhibitors using click chemistry. Compound 17 bearing a phenyl ring at meta-position was identified to show much better selectivity for HDAC1 over HDAC7 than SAHA. The compond 17 also showed better in vitro anticancer activities against several cancer cell lines than that of SAHA. This work could serve as a foundation for further exploration of selective HDAC inhibitors using the compound 17 molecular scaffold. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.03.102

文献信息

• Design, synthesis, and biological evaluation of novel histone deacetylase 1 inhibitors through click chemistry
  作者：Qiao Sun、Yiwu Yao、Chunping Liu、Hua Li、Hequan Yao、Xiaowen Xue、Jinsong Liu、Zhengchao Tu、Sheng Jiang

  DOI：10.1016/j.bmcl.2013.03.102

  日期：2013.6

  We report the design, synthesis, and biological evaluation of a new series of HDAC1 inhibitors using click chemistry. Compound 17 bearing a phenyl ring at meta-position was identified to show much better selectivity for HDAC1 over HDAC7 than SAHA. The compond 17 also showed better in vitro anticancer activities against several cancer cell lines than that of SAHA. This work could serve as a foundation for further exploration of selective HDAC inhibitors using the compound 17 molecular scaffold. (C) 2013 Elsevier Ltd. All rights reserved.