3-isopropoxy-7-methoxy-N-(1H-1,2,3,4-tetrazol-5-yl)-1-benzo[b]thiophene-2-carboxamide | 104795-76-8

• 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: 3-isopropoxy-7-methoxy-N-(1H-1,2,3,4-tetrazol-5-yl)-1-benzo[b]thiophene-2-carboxamide
• 英文别名: Benzo[b]thiophene-2-carboxamide, 7-methoxy-3-(1-methylethoxy)-N-1H-tetrazol-5-yl-；7-methoxy-3-(1-methylethoxy)-N-1H-tetrazol-5-yl-benzo[b]thiophene-2-carboxamide；7-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
• CAS: 104795-76-8
• 化学式: C₁₄H₁₅N₅O₃S
• 分子量: 333.371
• InChiKey: UKMFLTBVTPYDJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 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-Isopropoxy-7-methoxy-benzo[b]thiophene-2-carboxylic acid methyl ester 在 氢氧化钾 、 N,N'-羰基二咪唑 作用下， 以 甲醇 为溶剂， 反应 7.25h， 生成 3-isopropoxy-7-methoxy-N-(1H-1,2,3,4-tetrazol-5-yl)-1-benzo[b]thiophene-2-carboxamide
  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

• [EN] FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS<br/>[FR] COMPOSES ET COMPOSITIONS MODULANT LE RECEPTEUR FC
  申请人：ARTHRON LTD

  公开号：WO2004058747A1

  公开（公告）日：2004-07-15

  The present invention provides compounds capable of binding to an Fc receptor and modulating Fc receptor activity comprising a core lipophilic group in the form of an Aryl ring substituted with a group rich in p-electrons. The invention further provides for a method of treating an autoimmune disease involving Fc receptor activity using such compounds. A method for obtaining a compound which modulates Fc receptor activity is also provided, the method comprising: (a) providing or designing compounds having structural characteristics to fit in the groove of the FcϜRIIa structure; and (b) screening the compounds for modulating activity on the Fc receptor.

  本发明提供了能够结合到Fc受体并调节Fc受体活性的化合物，包括以芳基环形式的核心疏水基团，该芳基环被富含p-电子的基团取代。本发明还提供了一种治疗自身免疫疾病涉及Fc受体活性的方法，使用这种化合物。还提供了一种获取调节Fc受体活性的化合物的方法，该方法包括：(a)提供或设计具有结构特征以适应FcϜRIIa结构凹槽的化合物；和(b)筛选这些化合物以调节Fc受体活性。
• Benzothiophenes and benzofurans and antiallergic use thereof
  申请人：Warner-Lambert Company

  公开号：US04703053A1

  公开（公告）日：1987-10-27

  Novel benzothiophene and benzofuran derivatives having antiallergic activity are described as well as a method of manufacture, pharmaceutical compositions, and methods of use therefor. The disclosure describes the use of derivatives for prevention of the release of mediators including histamine and leukotrienes from basophils and mast cells, and prevent respiratory burst in neutrophils providing activity useful in cardiovascular disorders as well as in antiinflammatory, psoriasis, and antimigraine treatment.

  描述了具有抗过敏活性的新型苯并噻吩和苯并呋喃衍生物，以及其制备方法、药物组合物和使用方法。该公开内容描述了衍生物的用途，用于预防嗜碱细胞和肥大细胞释放组胺和白三烯等介质，并防止中性粒细胞的呼吸爆发，提供在心血管疾病以及抗炎、银屑病和抗偏头痛治疗中有用的活性。
• Fc Receptor Modulating Compounds and Compositions
  申请人：Hogarth Mark Phillip

  公开号：US20080146632A1

  公开（公告）日：2008-06-19

  The present invention provides compounds capable of binding to an Fc receptor and modulating Fc receptor activity comprising a core lipophilic group in the form of an Aryl zing substituted with a group rich in p-electrons. The invention further provides for a method of treating an autoimmune disease involving Fc receptor activity using such compounds. A method for obtaining a compound which modulates Fc receptor activity is also provided, the method comprising: (a) providing or designing compounds having structural characteristics to fit in the groove of the FcγRIIa structure; and (b) screening the compounds for modulating activity on the Fc receptor.

  本发明提供了一种能够结合到Fc受体并调节Fc受体活性的化合物，包括一个具有芳基锌的核心亲脂基团，该芳基锌被富含p电子的基团取代。本发明还提供了一种使用这些化合物治疗自身免疫性疾病的方法，该疾病涉及Fc受体活性。本发明还提供了一种获得调节Fc受体活性的化合物的方法，该方法包括：（a）提供或设计具有结构特征以适合FcγRIIa结构凹槽的化合物；和（b）筛选具有调节Fc受体活性的化合物。
• Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS
  申请人：Hogarth Mark Phillip

  公开号：US20110144170A1

  公开（公告）日：2011-06-16

  The present invention provides compounds capable of binding to an Fc receptor and modulating Fc receptor activity comprising a core lipophilic group in the form of an Aryl zing substituted with a group rich in p-electrons. The invention further provides for a method of treating an autoimmune disease involving Fc receptor activity using such compounds. A method for obtaining a compound which modulates Fc receptor activity is also provided, the method comprising: (a) providing or designing compounds having structural characteristics to fit in the groove of the FcγRIIa structure; and (b) screening the compounds for modulating activity on the Fc receptor.

  本发明提供了一种能够结合Fc受体并调节Fc受体活性的化合物，包括一个具有芳基锌取代基的亲脂性核心基团，该基团被富含p电子的基团所取代。本发明还提供了一种治疗自身免疫性疾病的方法，该方法涉及使用这些化合物来调节Fc受体活性。还提供了一种获得调节Fc受体活性的化合物的方法，该方法包括：(a)提供或设计具有适合于FcγRIIa结构凹槽的结构特征的化合物；(b)筛选这些化合物以获得对Fc受体的调节活性。
• 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：——