N-(5-tetrazolyl)-6-styryl-2-pyridinecarboxamide | 83282-02-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(5-tetrazolyl)-6-styryl-2-pyridinecarboxamide
• 英文别名: 6-(2-phenylethenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
• CAS: 83282-02-4
• 化学式: C₁₅H₁₂N₆O
• 分子量: 292.3
• InChiKey: NEGNLAHRTSOUQU-UHFFFAOYSA-N

物化性质

• 密度：
  1.441±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  96.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(5-tetrazolyl)-6-styryl-2-pyridinecarboxamide 在 palladium on activated charcoal sodium hydroxide 、 氢气 作用下， 以 乙醇 为溶剂， 以67%的产率得到N-(1H-tetrazol-5-yl)-6-(2-phenylethyl)-2-pyridinecarboxamide
  参考文献：
  名称：

  Antiallergic agents. 3. N-(1H-tetrazol-5-yl)-2-pyridinecarboxamides

  摘要：

  A series of N-tetrazolylpyridinecarboxamides was prepared and evaluated for antiallergic activity by the passive cutaneous anaphylaxis (PCA) assay. From the structure-activity relationships (SAR) of this class of compounds, it was revealed that the N-tetrazolylcarbamoyl group as an acidic functionality is required to be at the 2-position of the pyridine nucleus and that the phenyl group as a subtituent is not necessarily required for activity. 6-Methyl-N-(1H-tetrazol-5-yl)-2-pyridinecarboxamide (36) showed good oral activity and low toxicity.

  DOI：

  10.1021/jm00368a005
• 作为产物：
  描述：

  6-(2-苯基乙烯基)吡啶-2-羧酸 在 氯化亚砜 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 N-(5-tetrazolyl)-6-styryl-2-pyridinecarboxamide
  参考文献：
  名称：

  Antiallergic agents. 3. N-(1H-tetrazol-5-yl)-2-pyridinecarboxamides

  摘要：

  A series of N-tetrazolylpyridinecarboxamides was prepared and evaluated for antiallergic activity by the passive cutaneous anaphylaxis (PCA) assay. From the structure-activity relationships (SAR) of this class of compounds, it was revealed that the N-tetrazolylcarbamoyl group as an acidic functionality is required to be at the 2-position of the pyridine nucleus and that the phenyl group as a subtituent is not necessarily required for activity. 6-Methyl-N-(1H-tetrazol-5-yl)-2-pyridinecarboxamide (36) showed good oral activity and low toxicity.

  DOI：

  10.1021/jm00368a005

文献信息

• 2-Pyridinecarboxamide derivatives compositions containing same and
  申请人：Tanabe Seiyaku Co., Ltd.

  公开号：US04404214A1

  公开（公告）日：1983-09-13

  A 2-pyridinecarboxamide derivative of the formula: ##STR1## wherein R.sup.1 is hydrogen, lower alkyl, lower alkoxy, halogen, lower alkyl-thio or nitro and is in the 3rd-, 4th- or 5th-position of the pyridyl group, and R.sup.2 is hydrogen, lower alkyl, lower alkoxy, phenoxy, phenyl-lower alkyl, phenyl-lower alkenyl, or halogen. Said 2-pyridinecarboxamide derivative (I) or a pharmaceutically acceptable salt thereof is useful as an anti-allergic agent.

  公式如下：##STR1## 其中R.sup.1为氢、低级烷基、低级烷氧基、卤素、低级烷硫基或硝基，且位于吡啶基的第3、4或5位，而R.sup.2为氢、低级烷基、低级烷氧基、苯氧基、苯基-低级烷基、苯基-低级烯基或卤素。该2-吡啶羧酰胺衍生物(I)或其药学上可接受的盐可用作抗过敏剂。