N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-phenylpiperazin-1-yl)propanamide | 872057-67-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-phenylpiperazin-1-yl)propanamide
• CAS: 872057-67-5
• 化学式: C₂₃H₂₆N₄O₂S
• 分子量: 422.551
• InChiKey: VSSDKZZTVWZCFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  85.9
• 氢给体数：
  1
• 氢受体数：
  6

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  ——	3-chloro-N-(4-(4-methoxyphenyl)thiazol-2-yl)propanamide	516451-70-0	C13H13ClN2O2S	296.777

反应信息

• 作为产物：
  描述：

  N-苯基哌嗪 、 3-chloro-N-(4-(4-methoxyphenyl)thiazol-2-yl)propanamide 在 sodium carbonate 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-phenylpiperazin-1-yl)propanamide
  参考文献：
  名称：

  Synthesis and biological evaluation of new thiazolyl/benzothiazolyl-amides, derivatives of 4-phenyl-piperazine

  摘要：

  A series of thiazolyl-N-phenyl piperazines has been synthesised and tested for anti-inflammatory activity. Their R(M) values were determined as an expression of their lipophilicity. Theoretical calculation of their lipophilicity, as clog P and logPsk also performed. The effect of the synthesised compounds on inflammation, using the carrageenin induced mouse paw oedema model was studied. In general, the studied compounds were found to be potent anti-inflammatory agents (44-74.1%). Anti-inflammatory activity was influenced by some structural characteristics of the synthesised compounds. An attempt was made to correlate their biological activity with some physicochemical parameters using a quantitative structure-activity relationship approach (QSAR).

  DOI：

  10.1016/j.farmac.2005.06.014

文献信息

• Synthesis and biological evaluation of new thiazolyl/benzothiazolyl-amides, derivatives of 4-phenyl-piperazine
  作者：Christina Papadopoulou、Athina Geronikaki、Dimitra Hadjipavlou-Litina

  DOI：10.1016/j.farmac.2005.06.014

  日期：2005.11

  A series of thiazolyl-N-phenyl piperazines has been synthesised and tested for anti-inflammatory activity. Their R(M) values were determined as an expression of their lipophilicity. Theoretical calculation of their lipophilicity, as clog P and logPsk also performed. The effect of the synthesised compounds on inflammation, using the carrageenin induced mouse paw oedema model was studied. In general, the studied compounds were found to be potent anti-inflammatory agents (44-74.1%). Anti-inflammatory activity was influenced by some structural characteristics of the synthesised compounds. An attempt was made to correlate their biological activity with some physicochemical parameters using a quantitative structure-activity relationship approach (QSAR).