2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidine-1-carbonyl)-N-(2-methoxyphenyl)pyrrolidine-1-carbothioamide | 1426224-53-4

• 英文名称: 2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidine-1-carbonyl)-N-(2-methoxyphenyl)pyrrolidine-1-carbothioamide
• CAS: 1426224-53-4
• 化学式: C₂₅H₂₇FN₄O₃S
• 分子量: 482.579
• InChiKey: QHVYWCYCQJSKHP-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.54
• 重原子数：
  34.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  70.84
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  tert-butyl 2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-carbonyl)pyrrolidine-1-carboxylate 在 N-甲基吗啉 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.75h， 生成 2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidine-1-carbonyl)-N-(2-methoxyphenyl)pyrrolidine-1-carbothioamide
  参考文献：
  名称：

  Inhibition of protein glycation by urea and thiourea derivatives of glycine/proline conjugated benzisoxazole analogue – Synthesis and structure–activity studies

  摘要：

  Synthesis of a new series of urea/thiourea derivatives of Gly/Pro conjugated benzisoxazole has been reported. Structure of the compounds was characterized by physical and spectroscopical data and has been screened for their in vitro antiglycation activity. Several compounds showed promising activity with IC50 <5 mu M compared to standard rutin (IC50 = 41.9 mu M). Further, it was found that compounds containing methoxy and bromine substituents have exerted highly potent activity. Thus, the title compounds represent novel class of potent antiglycating agents. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.12.029