8-Chloro-4,5-dihydro-5-methyl-4-oxo-N-1H-tetrazol-5-ylpyrano[3,2-b]indole-2-carboxamide | 81729-89-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 8-Chloro-4,5-dihydro-5-methyl-4-oxo-N-1H-tetrazol-5-ylpyrano[3,2-b]indole-2-carboxamide
• 英文别名: 8-chloro-5-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrano[3,2-b]indole-2-carboxamide
• CAS: 81729-89-7
• 化学式: C₁₄H₉ClN₆O₃
• 分子量: 344.717
• InChiKey: NOBYHAVBAPMMGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  ethyl 8-chloro-4,5-dihydro-5-methyl-4-oxopyrano[3,2-b]indole-2-carboxylate 在 盐酸 、 2-ethoxy-1(2H)-quinolinecarboxylate 、 溶剂黄146 作用下， 反应 103.75h， 生成 8-Chloro-4,5-dihydro-5-methyl-4-oxo-N-1H-tetrazol-5-ylpyrano[3,2-b]indole-2-carboxamide
  参考文献：
  名称：

  Synthesis and antiallergy activity of 4-oxopyrano[3,2-b]indoles

  摘要：

  A series of 4-oxopyrano[3,2-b]indole carboxylic acids, tetrazoles, and carboxamidotetrazoles has been prepared and tested for antiallergy potential in the rat passive cutaneous anaphylaxis (PCA) assay. Many of the compounds showed activity comparable or superior to that of cromolyn sodium or doxantrazole. Several compounds were orally active.

  DOI：

  10.1021/jm00185a023

文献信息

• Indolopyrone tetrazoles and carboxamidotetrazoles having antiallergic
  申请人：——

  公开号：US04316904A1

  公开（公告）日：1982-02-23

  Certain novel indolopyrone tetrazoles, carboxamidotetrazoles and their pharmaceutically acceptable salts are disclosed. These compounds are useful as antiallergic agents in mammals.

  某些新型吲哚吡喃四唑、羧酰胺基四唑及其药用盐被披露。这些化合物在哺乳动物中作为抗过敏药物是有用的。
• UNANGST P. C.; BROMN R. E.; HERZIG D. J., J. MED. CHEM., 1980, 23, NO 11, 1251-1255
  作者：UNANGST P. C.、 BROMN R. E.、 HERZIG D. J.

  DOI：——

  日期：——
• US4316904A
  申请人：——

  公开号：US4316904A

  公开（公告）日：1982-02-23
• Synthesis and antiallergy activity of 4-oxopyrano[3,2-b]indoles
  作者：Paul C. Unangst、Richard E. Brown、David J. Herzig

  DOI：10.1021/jm00185a023

  日期：1980.11

  A series of 4-oxopyrano[3,2-b]indole carboxylic acids, tetrazoles, and carboxamidotetrazoles has been prepared and tested for antiallergy potential in the rat passive cutaneous anaphylaxis (PCA) assay. Many of the compounds showed activity comparable or superior to that of cromolyn sodium or doxantrazole. Several compounds were orally active.