2-(6-Methyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetohydrazide | 807621-17-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(6-Methyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetohydrazide
• CAS: 807621-17-6
• 化学式: C₁₂H₁₉N₅OS
• 分子量: 281.382
• InChiKey: XZICVYJOAGIPPO-UHFFFAOYSA-N

物化性质

• 熔点：
  203-204 °C(Solv: methanol (67-56-1))
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(6-Methyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetohydrazide 在 三乙胺 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 8.5h， 生成 1-[5-[(6-Methyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylmethyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]ethanone
  参考文献：
  名称：

  Synthesis and anti-inflammatory activity of derivatives of 5-[(2-disubstitutedamino-6-methyl-pyrimidin-4-yl)-sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thiones

  摘要：

  Synthesis and results of anti-inflammatory activity in vivo of 5-[(2-disubstitutedamino-6-methyl-pyrimidin-4-yl)-sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thiones and their S-alkyl-, N(3)-acyl- and N(3)-aminomethyl derivatives are described. All the tested compounds possess anti-inflammatory activity comparable to that of acetylsalicylic acid and some derivatives of 5-[(6-methyl-2-piperidin-1-yl-pyrimidin-4-yl)-sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione were found to be much more active than ibuprofen.

  DOI：

  10.1016/j.farmac.2004.05.007
• 作为产物：
  描述：

  methyl (2-chloro-6-methyl-pyrimidin-4-yl)-sulfanylacetate 在 sodium carbonate 、 一水合肼 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 3.0h， 生成 2-(6-Methyl-2-piperidin-1-ylpyrimidin-4-yl)sulfanylacetohydrazide
  参考文献：
  名称：

  Synthesis and anti-inflammatory activity of derivatives of 5-[(2-disubstitutedamino-6-methyl-pyrimidin-4-yl)-sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thiones

  摘要：

  Synthesis and results of anti-inflammatory activity in vivo of 5-[(2-disubstitutedamino-6-methyl-pyrimidin-4-yl)-sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thiones and their S-alkyl-, N(3)-acyl- and N(3)-aminomethyl derivatives are described. All the tested compounds possess anti-inflammatory activity comparable to that of acetylsalicylic acid and some derivatives of 5-[(6-methyl-2-piperidin-1-yl-pyrimidin-4-yl)-sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione were found to be much more active than ibuprofen.

  DOI：

  10.1016/j.farmac.2004.05.007

文献信息

• Synthesis and anti-inflammatory activity of derivatives of 5-[(2-disubstitutedamino-6-methyl-pyrimidin-4-yl)-sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thiones
  作者：Milda Malvina Burbuliene、Virginija Jakubkiene、Giedrute Mekuskiene、Emilija Udrenaite、Romualdas Smicius、Povilas Vainilavicius

  DOI：10.1016/j.farmac.2004.05.007

  日期：2004.10

  Synthesis and results of anti-inflammatory activity in vivo of 5-[(2-disubstitutedamino-6-methyl-pyrimidin-4-yl)-sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thiones and their S-alkyl-, N(3)-acyl- and N(3)-aminomethyl derivatives are described. All the tested compounds possess anti-inflammatory activity comparable to that of acetylsalicylic acid and some derivatives of 5-[(6-methyl-2-piperidin-1-yl-pyrimidin-4-yl)-sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione were found to be much more active than ibuprofen.