benzaldehyde (1-phenyl-1H-tetrazol-5-yl)-hydrazone | 25857-63-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: benzaldehyde (1-phenyl-1H-tetrazol-5-yl)-hydrazone
• 英文别名: benzaldehyde-(1-phenyl-1H-tetrazol-5-ylhydrazone)；Benzaldehyd-(1-phenyl-1H-tetrazol-5-ylhydrazon)；5-[(2E)-2-benzylidenehydrazinyl]-1-phenyl-1H-tetrazole；N-[(E)-benzylideneamino]-1-phenyltetrazol-5-amine
• CAS: 25857-63-0
• 化学式: C₁₄H₁₂N₆
• 分子量: 264.289
• InChiKey: OMVAWTYXOYQTFP-RVDMUPIBSA-N

物化性质

• 熔点：
  205 °C
• 沸点：
  461.2±28.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 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：
  68
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzaldehyde (1-phenyl-1H-tetrazol-5-yl)-hydrazone 、 p-chlorobenzenediazonium chloride 在 吡啶 作用下， 以 乙醇 为溶剂， 反应 0.08h， 生成
  参考文献：
  名称：

  Design, synthesis and biological activity of novel non-peptidyl endothelin converting enzyme inhibitors, 1-phenyl-tetrazole-formazan analogues

  摘要：

  A novel non-peptidyl endothelin converting enzyme inhibitor was obtained through a pharmacophore analysis of known inhibitors and three-dimensional structure database search. Analogues of the new inhibitor were designed using the structure-activity relationship of known inhibitors and synthesized. In anesthetized rats, intraperitoneal administration of the analogues suppressed the pressor responses induced by big endothelin-1. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00149-x
• 作为产物：
  描述：

  苯基氰胺 在 盐酸 、 sodium azide 、 氯化铵 、 sodium nitrite 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.17h， 生成 benzaldehyde (1-phenyl-1H-tetrazol-5-yl)-hydrazone
  参考文献：
  名称：

  Design, synthesis and biological activity of novel non-peptidyl endothelin converting enzyme inhibitors, 1-phenyl-tetrazole-formazan analogues

  摘要：

  A novel non-peptidyl endothelin converting enzyme inhibitor was obtained through a pharmacophore analysis of known inhibitors and three-dimensional structure database search. Analogues of the new inhibitor were designed using the structure-activity relationship of known inhibitors and synthesized. In anesthetized rats, intraperitoneal administration of the analogues suppressed the pressor responses induced by big endothelin-1. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00149-x