1-(4-phenylthiazol-2-yl)-2-(3-methylcyclohexylidene)hydrazine | 1245651-71-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-phenylthiazol-2-yl)-2-(3-methylcyclohexylidene)hydrazine
• 英文别名: N-[(3-methylcyclohexylidene)amino]-4-phenyl-1,3-thiazol-2-amine
• CAS: 1245651-71-1
• 化学式: C₁₆H₁₉N₃S
• 分子量: 285.413
• InChiKey: TYXGDELQOONTQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  [(3-Methylcyclohexylidene)amino]thiourea 在 α-halo-acetophenone 作用下， 以 异丙醇 为溶剂， 反应 2.0h， 生成 1-(4-phenylthiazol-2-yl)-2-(3-methylcyclohexylidene)hydrazine
  参考文献：
  名称：

  Synthesis, Stereochemical Separation, and Biological Evaluation of Selective Inhibitors of Human MAO-B: 1-(4-Arylthiazol-2-yl)-2-(3-methylcyclohexylidene)hydrazines

  摘要：

  Novel 1-(4-arylthiazol-2-yl)-2-(3-methylcyclohexylidene)hydrazine derivatives have been investigated for their ability to inhibit selectively the activity of the human B isoform of monoamine oxidase. These compounds were obtained as racemates and (R)-enantiomers by a stereoconservative synthetic pattern in high yield and enantiomeric excess. The (S)-enantiomers of the most active derivatives have been separated by enantioselective HPLC. All compounds showed selective activity against hMAO-B with IC(50) ranging between 21.90 and 0.018 mu M.

  DOI：

  10.1021/jm100120s

文献信息

• Synthesis, Stereochemical Separation, and Biological Evaluation of Selective Inhibitors of Human MAO-B: 1-(4-Arylthiazol-2-yl)-2-(3-methylcyclohexylidene)hydrazines
  作者：Franco Chimenti、Daniela Secci、Adriana Bolasco、Paola Chimenti、Arianna Granese、Simone Carradori、Matilde Yáñez、Francisco Orallo、M. Luisa Sanna、Bruno Gallinella、Roberto Cirilli

  DOI：10.1021/jm100120s

  日期：2010.9.9

  Novel 1-(4-arylthiazol-2-yl)-2-(3-methylcyclohexylidene)hydrazine derivatives have been investigated for their ability to inhibit selectively the activity of the human B isoform of monoamine oxidase. These compounds were obtained as racemates and (R)-enantiomers by a stereoconservative synthetic pattern in high yield and enantiomeric excess. The (S)-enantiomers of the most active derivatives have been separated by enantioselective HPLC. All compounds showed selective activity against hMAO-B with IC(50) ranging between 21.90 and 0.018 mu M.