| 1259568-42-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• CAS: 1259568-42-7
• 化学式: C₂₇H₃₀N₄O₂S
• 分子量: 474.627
• InChiKey: XJMFNVPITGIFCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.46
• 重原子数：
  34.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  66.91
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  、 乙酸酐 生成
  参考文献：
  名称：

  Synthesis, antimicrobial evaluation and QSAR studies of novel piperidin-4-yl-5-spiro-thiadiazoline derivatives

  摘要：

  In an attempt to find a new class of antimicrobial agents, a series of new 1,3,4-thiadiazolines were synthesized from 2,6-diarylpiperidin-4-ones, via the corresponding 4'-phenylthiosemicarbazones. All the synthesized compounds (23-39) were virtually screened against bacterial (Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa and Salmonella typhi) and fungal strains (Candida albicans, Rhizopus sp, Aspergillus niger and Aspergillus flavus) by serial dilution method. QSAR study indicated that the increase in weakly polar component of solvent accessible surface area will favour antibacterial activity while increase in polarizability and decrease in ionisation potential and hydrogen bond donor will favour antifungal activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.002
• 作为产物：
  描述：

  2,6-双(4-甲氧基苯基)-3-甲基哌啶-4-酮 、 4-苯基-3-硫代氨基脲 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, antimicrobial evaluation and QSAR studies of novel piperidin-4-yl-5-spiro-thiadiazoline derivatives

  摘要：

  In an attempt to find a new class of antimicrobial agents, a series of new 1,3,4-thiadiazolines were synthesized from 2,6-diarylpiperidin-4-ones, via the corresponding 4'-phenylthiosemicarbazones. All the synthesized compounds (23-39) were virtually screened against bacterial (Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa and Salmonella typhi) and fungal strains (Candida albicans, Rhizopus sp, Aspergillus niger and Aspergillus flavus) by serial dilution method. QSAR study indicated that the increase in weakly polar component of solvent accessible surface area will favour antibacterial activity while increase in polarizability and decrease in ionisation potential and hydrogen bond donor will favour antifungal activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.002

文献信息

• Synthesis, characterization and anti-microbiological evaluation of 2-[(2,6-diaryl piperidin-4-yl)hydrazono]-2,3-dihydrothiazoles as a new class of antimicrobial agents
  作者：N. Sarathi、S. L. Ashok Kumar、C. Sankar

  DOI：10.1007/s13738-024-03090-y

  日期：2024.9

  acetate-acetic acid buffer and refluxing in ethanol for 12–16 h. The newly synthesized target compounds were characterized by elemental analysis, mass, FT-IR, 1H and 13C NMR spectroscopic methods. A Structure activity relationship study was carried out for the title compounds against a panel of bacterial strains viz Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa, Salmonella typhi, Bacillus subtilis

  通过各自的缩氨基硫脲( 9-24 )与苯甲酰溴在存在下反应合成了一系列2-[(2,6-二芳基哌啶-4-基)亚肼基]-2,3-二氢噻唑( 25-40 )。乙酸钠-乙酸缓冲液并在乙醇中回流12-16小时。通过元素分析、质谱、FT-IR、 1 H和13 C NMR光谱方法对新合成的目标化合物进行了表征。对标题化合物针对一组细菌菌株（即金黄色葡萄球菌、大肠杆菌、铜绿假单胞菌、伤寒沙门氏菌、枯草芽孢杆菌和肺炎克雷伯菌）以及真菌菌株新型隐球菌、白色念珠菌、根霉菌、曲霉进行了结构活性关系研究黑曲霉和黄曲霉分别采用环丙沙星和两性霉素-B作为标准药物。这些研究证明，化合物26和34对金黄色葡萄球菌、 35对铜绿假单胞菌、 38对枯草芽孢杆菌和27对肺炎克雷伯菌在最低浓度 (6.25 µg/mL)下显示出最大抑制效力，而26、34和35针对新型念珠菌以及26和27针对白色念珠菌在最低浓度 (MIC) 6.25