7-Chloro-3-isopropoxy-6-methoxy-benzo[b]thiophene-2-carboxylic acid (1H-tetrazol-5-yl)-amide | 122024-58-2

• 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: 7-Chloro-3-isopropoxy-6-methoxy-benzo[b]thiophene-2-carboxylic acid (1H-tetrazol-5-yl)-amide
• 英文别名: 7-chloro-6-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
• CAS: 122024-58-2
• 化学式: C₁₄H₁₄ClN₅O₃S
• 分子量: 367.816
• InChiKey: SIRSOTJKZTZTMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-氯-6-甲氧基苯并[b]噻吩-2-甲酰氯 在 sodium hydroxide 、 氯 、 sodium hydride 、 N,N'-羰基二咪唑 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 31.0h， 生成 7-Chloro-3-isopropoxy-6-methoxy-benzo[b]thiophene-2-carboxylic acid (1H-tetrazol-5-yl)-amide
  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.;MULLICAN, MICHAEL D.;SORENSON, RODERICK J.;THUESON, DAVI+
  作者：CONNOR, DAVID T.、MULLICAN, MICHAEL D.、SORENSON, RODERICK J.、THUESON, DAVI+

  DOI：——

  日期：——
• Novel benzothiophenes having antiallergic activity and both novel and other selected benzothiophenes having activity for treating acute respiratory distress syndrome
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0299457B1

  公开（公告）日：1994-09-21
• US4931459A
  申请人：——

  公开号：US4931459A

  公开（公告）日：1990-06-05
• 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.