3-(biphenyl-4-yl)-5-tert-butyl-4-(2-fluorophenyl)-4H-1,2,4-triazole | 374889-58-4

• 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: 3-(biphenyl-4-yl)-5-tert-butyl-4-(2-fluorophenyl)-4H-1,2,4-triazole
• 英文别名: 3-Biphenyl-4-yl-5-tert-butyl-4-(2-fluorophenyl)-4H-1,2,4-triazole；3-tert-butyl-4-(2-fluorophenyl)-5-(4-phenylphenyl)-1,2,4-triazole
• CAS: 374889-58-4
• 化学式: C₂₄H₂₂FN₃
• 分子量: 371.457
• InChiKey: RLHGHDKZVCGBAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氟苯胺 、 2-(4-Biphenylyl)-5-t-butyl-1,3,4-oxadiazol 在 对甲苯磺酸 作用下， 以 水 为溶剂， 以51%的产率得到3-(biphenyl-4-yl)-5-tert-butyl-4-(2-fluorophenyl)-4H-1,2,4-triazole
  参考文献：
  名称：

  Synthesis and Biological Evaluation of 3-Biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as Novel Glycine Transporter 1 Inhibitors

  摘要：

  We describe the preparation and evaluation of a novel series of glycine transporter 1 (GlyT1) inhibitors derived from a high-throughput screening hit The SAR studies resulted in the discovery of 3-biphenyl-4-yl-4-(2 fluorophenyl)-5-isopropyl-4H-1,2,4-triazole (6p) A pharmacokinetic study was also conducted and revealed that 6p had excellent oral bioavailability and ameliorated learning impairment in passive avoidance tasks in mice

  DOI：

  10.1021/jm101031u

文献信息

• Synthesis and Biological Evaluation of 3-Biphenyl-4-yl-4-phenyl-4<i>H</i>-1,2,4-triazoles as Novel Glycine Transporter 1 Inhibitors
  作者：Takashi Sugane、Takahiko Tobe、Wataru Hamaguchi、Itsuro Shimada、Kyoichi Maeno、Junji Miyata、Takeshi Suzuki、Tetsuya Kimizuka、Atsuyuki Kohara、Takuma Morita、Hitoshi Doihara、Kyouko Saita、Masaki Aota、Masako Furutani、Yoshiaki Shimada、Noritaka Hamada、Shuichi Sakamoto、Shin-ichi Tsukamoto

  DOI：10.1021/jm101031u

  日期：2011.1.13

  We describe the preparation and evaluation of a novel series of glycine transporter 1 (GlyT1) inhibitors derived from a high-throughput screening hit The SAR studies resulted in the discovery of 3-biphenyl-4-yl-4-(2 fluorophenyl)-5-isopropyl-4H-1,2,4-triazole (6p) A pharmacokinetic study was also conducted and revealed that 6p had excellent oral bioavailability and ameliorated learning impairment in passive avoidance tasks in mice