N-hydroxy-4-[[(4-methylphenyl)methylideneamino]carbamothioyl]piperazine-1-carboxamide | 1237537-70-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-hydroxy-4-[[(4-methylphenyl)methylideneamino]carbamothioyl]piperazine-1-carboxamide
• CAS: 1237537-70-0
• 化学式: C₁₄H₁₉N₅O₂S
• 分子量: 321.403
• InChiKey: JVFJLRHXZCIQKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.92
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  80.2
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  N-hydroxypiperazine-1-carboxamide 、 N'-[1-p-Tolyl-meth-(Z)-ylidene]-hydrazinecarbodithioic acid methyl ester 反应 24.0h， 生成 N-hydroxy-4-[[(4-methylphenyl)methylideneamino]carbamothioyl]piperazine-1-carboxamide
  参考文献：
  名称：

  Design, synthesis and anticancer activity of piperazine hydroxamates and their histone deacetylase (HDAC) inhibitory activity

  摘要：

  Six compounds were synthesized with piperazine in linker region and hydroxamate as Zinc Binding Group ( ZBG). They were screened against three cancer cell-lines (NCIH460; HCT116; U251). Compounds 5c and 5f with GI(50) value of 9.33 +/- 1.3 mu M and 12.03 +/- 4 mu M, respectively, were tested for their inhibitory potential on hHDAC8. Compound 5c had IC(50) of 33.67 mu M. Compounds were also screened for their anticancer activity against HL60 human promyelocytic leukemia cell line due to the presence of pharmacophoric features of RR inhibitors in them. Compound 5c had IC(50) of 0.6 mu M at 48 h. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.05.020