Sodium;1-cyclopentyl-2,5-dimethylimidazole-4-carboxylate | 1261180-97-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Sodium;1-cyclopentyl-2,5-dimethylimidazole-4-carboxylate
• CAS: 1261180-97-5
• 化学式: C₁₁H₁₅N₂O₂*Na
• 分子量: 230.242
• InChiKey: LTQDHRDXKKTCCZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.02
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  58
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-(1-(dimethylamino)ethylidene)-2-methyloxazol-5(4H)-one 在 甲醇 、 ammonium sulfate 、 sodium hydride 、 溶剂黄146 、 六甲基二硅氮烷 、 sodium hydroxide 作用下， 以 水 、 mineral oil 为溶剂， 反应 13.0h， 生成 Sodium;1-cyclopentyl-2,5-dimethylimidazole-4-carboxylate
  参考文献：
  名称：

  Design and Synthesis of Novel Arylpiperazine Derivatives Containing the Imidazole Core Targeting 5-HT_2A Receptor and 5-HT Transporter

  摘要：

  Serotonin antagonist reuptake inhibitor (SARI) drugs that block both 5-HT2 receptors and the serotonin transporters have been developed. The human 5-HT2A/2C receptor has been implicated in several neurological conditions, and potent selective 5-HT2A/2C ligands may have therapeutic potential for treatment of CNS diseases such as depression. An imidazole moiety usually provides good pharmacokinetic properties as a drug substance, and thus considerable efforts have been devoted to develop imidazole derivatives into drug candidates. The imidazole series of compounds was evaluated against 5-HT2A/2C and serotonin reuptake inhibition. A few of the compounds in the series showed promising IC50 values and antidepressant-like effect in in vivo forced swimming test (FST). On the basis of these results, further lead optimization studies resulted in identifying promising compounds potentially for therapeutic use.

  DOI：

  10.1021/jm200682b