[5-(5-Methyl-[1,3,4]oxadiazol-2-yl)-2-thiophen-2-yl-pyrimidin-4-yl]-hydrazine | 212621-74-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: [5-(5-Methyl-[1,3,4]oxadiazol-2-yl)-2-thiophen-2-yl-pyrimidin-4-yl]-hydrazine
• CAS: 212621-74-4
• 化学式: C₁₁H₁₀N₆OS
• 分子量: 274.306
• InChiKey: DSFLUJDQRHDCFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.85
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  102.75
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  柠康酸酐 、 [5-(5-Methyl-[1,3,4]oxadiazol-2-yl)-2-thiophen-2-yl-pyrimidin-4-yl]-hydrazine 以 氯仿 为溶剂， 生成 3-Methyl-1-[5-(5-methyl-[1,3,4]oxadiazol-2-yl)-2-thiophen-2-yl-pyrimidin-4-ylamino]-pyrrole-2,5-dione
  参考文献：
  名称：

  Novel inhibitors of AP-1 and NF-κB mediated gene expression: structure–activity relationship studies of ethyl 4-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate

  摘要：

  In an effort to identify novel inhibitors of AP-1 and NF-kappa B mediated transcriptional activation, several analogues of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested in two in vitro assays. The 2-(2'-thienyl) substituted compound (II) was identified as the most potent in this series. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00312-7
• 作为产物：
  描述：

  ethyl 4-(benzylthio)-2-(2'-thienyl)pyrimidine-5-carboxylate 在 sodium hydroxide 、 间氯过氧苯甲酸 、 肼 、 三氯氧磷 作用下， 生成 [5-(5-Methyl-[1,3,4]oxadiazol-2-yl)-2-thiophen-2-yl-pyrimidin-4-yl]-hydrazine
  参考文献：
  名称：

  Novel inhibitors of AP-1 and NF-κB mediated gene expression: structure–activity relationship studies of ethyl 4-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate

  摘要：

  In an effort to identify novel inhibitors of AP-1 and NF-kappa B mediated transcriptional activation, several analogues of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested in two in vitro assays. The 2-(2'-thienyl) substituted compound (II) was identified as the most potent in this series. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00312-7