Benzo[b]thiophene-2-carboxamide, 3-(1-methylethoxy)-5-nitro-N-1H-tetrazol-5-yl- | 104796-03-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: Benzo[b]thiophene-2-carboxamide, 3-(1-methylethoxy)-5-nitro-N-1H-tetrazol-5-yl-
• 英文别名: 3-(1-methylethoxy)-5-nitro-N-1H-tetrazol-5-yl-benzo[b]thiophene-2-carboxamide；5-nitro-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
• CAS: 104796-03-4
• 化学式: C₁₃H₁₂N₆O₄S
• 分子量: 348.342
• InChiKey: FFJGVQRUVBRTGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  167
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  甲基3-羟基-5-硝基-2,3-二氢-1-苯并噻吩-3-羧酸酯 在 氢氧化钾 、 N,N'-羰基二咪唑 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 30.75h， 生成 Benzo[b]thiophene-2-carboxamide, 3-(1-methylethoxy)-5-nitro-N-1H-tetrazol-5-yl-
  参考文献：
  名称：

  Novel benzothiophene-, benzofuran-, and naphthalenecarboxamidotetrazoles as potential antiallergy agents

  摘要：

  The synthesis and antiallergic activity of a series of novel benzothiophene-, benzofuran-, and naphthalenecarbox-amidotetrazoles are described. A number of the compounds inhibit the release of histamine from anti-IgE stimulated basophils obtained from allergic donors. Optimal inhibition is exhibited in benzothiophenes with a 3-alkoxy substituent in combination with a 5-methoxy, 6-methoxy, or a 5,6-dimethoxy group. Compounds 13c (CI-959) also inhibited respiratory burst of human neutrophils and the release of mediators from anti-IgE-stimulated human chopped lung.

  DOI：

  10.1021/jm00083a023

文献信息

• CONNOR, DAVID T.;CETENKO, WIACZESLAW A.;UNANGST, PAUL C.;JOHNSON, ELIZABE+
  作者：CONNOR, DAVID T.、CETENKO, WIACZESLAW A.、UNANGST, PAUL C.、JOHNSON, ELIZABE+

  DOI：——

  日期：——
• Benzothiophenes and benzofurans having antiallergic activity
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0187487B1

  公开（公告）日：1990-08-29
• US4703053A
  申请人：——

  公开号：US4703053A

  公开（公告）日：1987-10-27
• Novel benzothiophene-, benzofuran-, and naphthalenecarboxamidotetrazoles as potential antiallergy agents
  作者：David T. Connor、Wiaczeslaw A. Cetenko、Michael D. Mullican、Roderick J. Sorenson、Paul C. Unangst、Robert J. Weikert、Richard L. Adolphson、John A. Kennedy、David O. Thueson

  DOI：10.1021/jm00083a023

  日期：1992.3

  The synthesis and antiallergic activity of a series of novel benzothiophene-, benzofuran-, and naphthalenecarbox-amidotetrazoles are described. A number of the compounds inhibit the release of histamine from anti-IgE stimulated basophils obtained from allergic donors. Optimal inhibition is exhibited in benzothiophenes with a 3-alkoxy substituent in combination with a 5-methoxy, 6-methoxy, or a 5,6-dimethoxy group. Compounds 13c (CI-959) also inhibited respiratory burst of human neutrophils and the release of mediators from anti-IgE-stimulated human chopped lung.