DC-S342 | 307339-48-6

• 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: DC-S342
• 英文别名: 4-phenyl-N'-(2,2,2-trifluoroacetyl)benzohydrazide
• CAS: 307339-48-6
• 化学式: C₁₅H₁₁F₃N₂O₂
• 分子量: 308.26
• InChiKey: VXUBQDCEWBGDFQ-UHFFFAOYSA-N

物化性质

• 沸点：
  474.6±45.0 °C(Predicted)
• 密度：
  1.317±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-联苯基羧酸肼 、 三氟乙酸酐 在 吡啶 作用下， 生成 DC-S342
  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