2-甲氧基-4-噻吩-2-基苯甲酸 | 1261928-11-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-甲氧基-4-噻吩-2-基苯甲酸
• 英文名称: 2-Methoxy-4-(thiophen-2-YL)benzoic acid
• 英文别名: 2-methoxy-4-thiophen-2-ylbenzoic acid
• CAS: 1261928-11-3
• 化学式: C₁₂H₁₀O₃S
• 分子量: 234.276
• InChiKey: WYQWUBXEJCWGQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  74.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-甲氧基-4-噻吩-2-基苯甲酸 在 三氯化硼 作用下， 以 二氯甲烷 为溶剂， 生成 2-羟基-4-噻吩-2-基苯甲酸
  参考文献：
  名称：

  Synthesis and biological evaluation of salicylate-based compounds as a novel class of methionine aminopeptidase inhibitors

  摘要：

  A series of salicylate-based compounds were designed and synthesized based on the simple function group replacement from our previously reported catechol-containing inhibitors of methionine aminopeptidase (MetAP). Some of these salicylate derivatives showed similar potency and metalloform selectivity, and some showed considerable antibacterial activity. These findings are consistent with our previous conclusion that Fe(II) is the likely metal used by MetAP in bacterial cells and provide new lead structures that can be further developed as novel antibacterial agents. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.080
• 作为产物：
  描述：

  methyl 2-methoxy-4-(thiophen-2-yl)benzoate 在 水 、 lithium hydroxide 作用下， 以 甲醇 为溶剂， 生成 2-甲氧基-4-噻吩-2-基苯甲酸
  参考文献：
  名称：

  Synthesis and biological evaluation of salicylate-based compounds as a novel class of methionine aminopeptidase inhibitors

  摘要：

  A series of salicylate-based compounds were designed and synthesized based on the simple function group replacement from our previously reported catechol-containing inhibitors of methionine aminopeptidase (MetAP). Some of these salicylate derivatives showed similar potency and metalloform selectivity, and some showed considerable antibacterial activity. These findings are consistent with our previous conclusion that Fe(II) is the likely metal used by MetAP in bacterial cells and provide new lead structures that can be further developed as novel antibacterial agents. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.080

文献信息

• Synthesis and biological evaluation of salicylate-based compounds as a novel class of methionine aminopeptidase inhibitors
  作者：Wen-Long Wang、Sergio C. Chai、Qi-Zhuang Ye

  DOI：10.1016/j.bmcl.2011.09.080

  日期：2011.12

  A series of salicylate-based compounds were designed and synthesized based on the simple function group replacement from our previously reported catechol-containing inhibitors of methionine aminopeptidase (MetAP). Some of these salicylate derivatives showed similar potency and metalloform selectivity, and some showed considerable antibacterial activity. These findings are consistent with our previous conclusion that Fe(II) is the likely metal used by MetAP in bacterial cells and provide new lead structures that can be further developed as novel antibacterial agents. (C) 2011 Elsevier Ltd. All rights reserved.