N-Methyl-N'-o-fluorphenylthioharnstoff | 33251-66-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-Methyl-N'-o-fluorphenylthioharnstoff
• 英文别名: 1-(2-Fluorophenyl)-3-methylthiourea
• CAS: 33251-66-0
• 化学式: C₈H₉FN₂S
• mdl: MFCD06088137
• 分子量: 184.237
• InChiKey: VKZRXNASSYQHRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  56.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-Methyl-N'-o-fluorphenylthioharnstoff 、 碘甲烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 1-(2-Fluoro-phenyl)-2,3-dimethyl-isothiourea
  参考文献：
  名称：

  Synthesis and biological evaluation of 3-benzyl-1-methyl- and 1-methyl-3-phenyl-isothioureas as potential inhibitors of iNOS

  摘要：

  Novel benzyl- and phenyl-isothioureidic derivatives have been synthesised and evaluated as inhibitors of nitric oxide synthesis. induced in lipopolysaccharide (LPS)-activated J774.A1 macrophage cell line. The most potent iNOS inhibitor resulting was 1-methyl-3-phenyl-S-methyl isothiourea 5I. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.047
• 作为产物：
  描述：

  异硫氰酸(2-氟苯)酯 、 甲胺 以 丙酮 为溶剂， 反应 8.0h， 生成 N-Methyl-N'-o-fluorphenylthioharnstoff
  参考文献：
  名称：

  Synthesis and biological evaluation of 3-benzyl-1-methyl- and 1-methyl-3-phenyl-isothioureas as potential inhibitors of iNOS

  摘要：

  Novel benzyl- and phenyl-isothioureidic derivatives have been synthesised and evaluated as inhibitors of nitric oxide synthesis. induced in lipopolysaccharide (LPS)-activated J774.A1 macrophage cell line. The most potent iNOS inhibitor resulting was 1-methyl-3-phenyl-S-methyl isothiourea 5I. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.047

文献信息

• Synthesis and biological evaluation of 3-benzyl-1-methyl- and 1-methyl-3-phenyl-isothioureas as potential inhibitors of iNOS
  作者：Nicola Paesano、Stefania Marzocco、Caterina Vicidomini、Carmela Saturnino、Giuseppina Autore、Giovanni De Martino、Gianluca Sbardella

  DOI：10.1016/j.bmcl.2004.11.047

  日期：2005.2

  Novel benzyl- and phenyl-isothioureidic derivatives have been synthesised and evaluated as inhibitors of nitric oxide synthesis. induced in lipopolysaccharide (LPS)-activated J774.A1 macrophage cell line. The most potent iNOS inhibitor resulting was 1-methyl-3-phenyl-S-methyl isothiourea 5I. (C) 2004 Elsevier Ltd. All rights reserved.