N-(2-(4-(4-(2-amino-5-methylthiazol-4-yl)phenethyl)piperazin-1-yl)-2-oxoethyl)acetamide | 1097617-39-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(2-(4-(4-(2-amino-5-methylthiazol-4-yl)phenethyl)piperazin-1-yl)-2-oxoethyl)acetamide
• CAS: 1097617-39-4
• 化学式: C₂₀H₂₇N₅O₂S
• 分子量: 401.533
• InChiKey: ZMSLASXZENPIEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.52
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  91.56
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  N-(2-oxo-2-piperazin-1-ylethyl)acetamide 、 4-[4-(2-Chloroethyl)phenyl]-5-methyl-1,3-thiazol-2-amine 在 sodium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以83%的产率得到N-(2-(4-(4-(2-amino-5-methylthiazol-4-yl)phenethyl)piperazin-1-yl)-2-oxoethyl)acetamide
  参考文献：
  名称：

  Synthesis and preliminary pharmacological evaluation of N-2-(4-(4-(2-substitutedthiazol-4-yl) piperazin-1-yl)-2-oxoethyl)acetamides as novel atypical antipsychotic agents

  摘要：

  A series of N-2-(4-(4-(2-substitutedthiazol-4-yl) piperazin-1-yl)-2-oxoethyl)acetamides were synthesized in an effort to prepare novel atypical antipsychotic agents. The compounds were synthesized by either microwave irradiation technique or by conventional synthesis and were characterized by spectral data (IR, H-1 NMR, and MS) and the purity was ascertained by microanalysis. All the synthesized compounds were screened for their in vivo pharmacological activity in Swiss albino mice. D-2 antagonism studies were performed using climbing mouse assay model and 5-HT2A antagonism studies were performed using quipazine induced head twitches in mice. It was observed that none of the new chemical entities exhibited catalepsy. AG 3 was found to be the most active compound. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.035