| 1417915-67-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1417915-67-3
• 化学式: C₁₉H₁₆O₃
• 分子量: 292.334
• InChiKey: NPORPLRUDGYGNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.24
• 重原子数：
  22.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-indol-3-yl-2-(4-oxo-2-thioxo-thiazolidin-3-yl)-propionic acid 、 在 哌啶 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成 (Z)-2-(5-((6-((3-methoxybenzyl)oxy)naphthalen-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-3-(1H-indol-3-yl)propanoic acid
  参考文献：
  名称：

  Synthesis and biological evaluation of tryptophan-derived rhodanine derivatives as PTP1B inhibitors and anti-bacterial agents

  摘要：

  Several series of novel tryptophan-derived rhodanine derivatives were synthesized and identified as potential competitive PTP1B inhibitors and antibacterial agents. Among the compounds studied, 10b was found to have the best in vitro inhibition activity against PTP1B (IC50= 0.36 +/- 0.02 mu M). In addition, the compounds also showed potent inhibition against other PTPs, especially CDC25B. Molecular docking analysis demonstrated that compounds 7c and 10b could occupy both the catalytic site and the adjacent pTyr binding site simultaneously. The compounds also showed higher levels of activity against gram-positive strains, the gram-negative strain Escherichia coli 1924, and multidrug-resistant gram-positive bacterial strains. Compounds 7c, 8c, 9e, 10a, and 10c had comparable or more potent antibacterial activity than the positive controls. (C) 2019 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2019.03.059
• 作为产物：
  描述：

  6-羟基-2-萘甲醛 、 3-甲氧基氯苄 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  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