(Z)-2-(4-oxo-2-thioxo-5-((6-((4-(trifluoromethyl)benzyl)oxy)naphthalen-2-yl)methylene)thiazolidin-3-yl)acetic acid | 1417915-61-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (Z)-2-(4-oxo-2-thioxo-5-((6-((4-(trifluoromethyl)benzyl)oxy)naphthalen-2-yl)methylene)thiazolidin-3-yl)acetic acid
• 英文别名: 2-[(5Z)-4-oxo-2-sulfanylidene-5-[[6-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]methylidene]-1,3-thiazolidin-3-yl]acetic acid
• CAS: 1417915-61-7
• 化学式: C₂₄H₁₆F₃NO₄S₂
• 分子量: 503.523
• InChiKey: PZNDOHUEAVPBFM-JMIUGGIZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  124
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  6-羟基-2-萘甲醛 、 4-(三氟甲基)苄基氯 在 哌啶 、 potassium carbonate 、 溶剂黄146 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 (Z)-2-(4-oxo-2-thioxo-5-((6-((4-(trifluoromethyl)benzyl)oxy)naphthalen-2-yl)methylene)thiazolidin-3-yl)acetic acid
  参考文献：
  名称：

  Synthesis and potential antibacterial activity of new rhodanine-3-acetic acid derivatives

  摘要：

  A series of rhodanine-3-acetic acid derivatives were synthesized and investigated for their antibacterial activity against gram-positive bacteria including multidrug-resistant clinical isolates. Among these compounds, 6k with a MIC of 2 mu g/mL was as active as the standard drug (norfloxacin) but less active than oxacillin against S. aureus. The compounds 6b, 6e, 6h, 6k, 6n, and 6u presented better activities against multidrug-resistant Staphylococcus aureus than the standard drugs (norfloxacin and oxacillin), especially 6k with a MIC of 1 mu g/mL. However, none of the compounds were active against gram-negative bacteria at 64 mu g/mL.

  DOI：

  10.1007/s00044-012-0417-z

文献信息

• Synthesis and potential antibacterial activity of new rhodanine-3-acetic acid derivatives
  作者：Jing Miao、Chang-Ji Zheng、Liang-Peng Sun、Ming-Xia Song、Li-Li Xu、Hu-Ri Piao

  DOI：10.1007/s00044-012-0417-z

  日期：2013.9

  A series of rhodanine-3-acetic acid derivatives were synthesized and investigated for their antibacterial activity against gram-positive bacteria including multidrug-resistant clinical isolates. Among these compounds, 6k with a MIC of 2 mu g/mL was as active as the standard drug (norfloxacin) but less active than oxacillin against S. aureus. The compounds 6b, 6e, 6h, 6k, 6n, and 6u presented better activities against multidrug-resistant Staphylococcus aureus than the standard drugs (norfloxacin and oxacillin), especially 6k with a MIC of 1 mu g/mL. However, none of the compounds were active against gram-negative bacteria at 64 mu g/mL.