1-(3-fluorophenyl)-3-(1-methyl-4-oxo-1,4,5,6-tetrahydropyridin-2-yl)urea | 1338095-69-4

• 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: 1-(3-fluorophenyl)-3-(1-methyl-4-oxo-1,4,5,6-tetrahydropyridin-2-yl)urea
• 英文别名: (3E)-1-(3-fluorophenyl)-3-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea
• CAS: 1338095-69-4
• 化学式: C₁₂H₁₃FN₄O₂
• 分子量: 264.259
• InChiKey: SQFXBMYLXGOZEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  73.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氨基-3-甲基-4,5-二氢嘧啶-6-酮 、 异氰-3-氟基苯酯 以 氯仿 为溶剂， 以38%的产率得到1-(3-fluorophenyl)-3-(1-methyl-4-oxo-1,4,5,6-tetrahydropyridin-2-yl)urea
  参考文献：
  名称：

  Synthesis and Evaluation of Metabotropic Glutamate Receptor Subtype 5 Antagonists Based on Fenobam

  摘要：

  In an effort to discover potent and selective metabotropic glutamate receptor subtype 5 (mGluR5) antagonists, 15 tetrahydropyrimidinone analogues of 1-(3-chlorophenyl)-3-(1-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)-urea (fenobam) were synthesized. These compounds were evaluated for antagonism of glutamate-mediated mobilization of internal calcium in an mGluR5 in vitro efficacy assay. The IC50 value for 1-(3-chlorophenyl)-3-(1-methyl-4-oxo-1,4,5,6-tetrahydropyridine)urea (4g) was essentially identical to that of fenobam.

  DOI：

  10.1021/ml200162f

文献信息

• Synthesis and Evaluation of Metabotropic Glutamate Receptor Subtype 5 Antagonists Based on Fenobam
  作者：Moses G. Gichinga、Jeremy P. Olson、Elizabeth Butala、Hernán A. Navarro、Brian P. Gilmour、S. Wayne Mascarella、F. Ivy Carroll

  DOI：10.1021/ml200162f

  日期：2011.12.8

  In an effort to discover potent and selective metabotropic glutamate receptor subtype 5 (mGluR5) antagonists, 15 tetrahydropyrimidinone analogues of 1-(3-chlorophenyl)-3-(1-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)-urea (fenobam) were synthesized. These compounds were evaluated for antagonism of glutamate-mediated mobilization of internal calcium in an mGluR5 in vitro efficacy assay. The IC50 value for 1-(3-chlorophenyl)-3-(1-methyl-4-oxo-1,4,5,6-tetrahydropyridine)urea (4g) was essentially identical to that of fenobam.