(S)-1-(4-(4-cyanophenyl)thiazol-2-yl)-2-(3-methylcyclohexylidene)hydrazine | 1245651-84-6

• 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: (S)-1-(4-(4-cyanophenyl)thiazol-2-yl)-2-(3-methylcyclohexylidene)hydrazine
• CAS: 1245651-84-6
• 化学式: C₁₇H₁₈N₄S
• 分子量: 310.423
• InChiKey: PHRXHZRDJNSXDF-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.66
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  61.07
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1-(4-(4-cyanophenyl)thiazol-2-yl)-2-(3-methylcyclohexylidene)hydrazine 在 Chiralpak AS-H column 作用下， 生成 (R)-1-(4-(4-cyanophenyl)thiazol-2-yl)-2-(3-methylcyclohexylidene)hydrazine 、 (S)-1-(4-(4-cyanophenyl)thiazol-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