(5-Bromo-benzofuran-3-yl)-acetonitrile | 139313-83-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: (5-Bromo-benzofuran-3-yl)-acetonitrile
• 英文别名: 5-Bromo-3-(cyanomethyl)benzofuran；2-(5-bromo-1-benzofuran-3-yl)acetonitrile
• CAS: 139313-83-0
• 化学式: C₁₀H₆BrNO
• 分子量: 236.068
• InChiKey: ALDCACAITXWHRZ-UHFFFAOYSA-N

物化性质

• 沸点：
  348.6±27.0 °C(Predicted)
• 密度：
  1.587±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (5-Bromo-benzofuran-3-yl)-acetonitrile 在 盐酸羟胺 、 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 18.0h， 生成 2-(5-Bromo-benzofuran-3-yl)-N-hydroxy-acetamidine
  参考文献：
  名称：

  Antihyperglycemic activity of novel substituted 3H-1,2,3,5-oxathiadiazole 2-oxides

  摘要：

  A series of substituted 3H-1,2,3,5-oxathiadiazole-2-oxides (6) was prepared and tested for antihyperglycemic activity in the db/db mouse, a model for type 2 (non-insulin dependent) diabetes mellitus. The oxathiadiazoles 6 were synthesized by a two-step sequence: treatment of a substituted acetonitrile (4) with hydroxylamine to give the corresponding amidoxime (5) and cyclization with thionyl chloride to yield 6. In terms of potency, the 2-naphthalenylmethyl group (as in compound 3) was found to be the optimal substituent in this series. Compound 3 was approximately 5 times more potent than ciglitazone (1).

  DOI：

  10.1021/jm00085a002
• 作为产物：
  描述：

  氰甲基磷酸二乙酯 、 5-溴-3-苯并呋喃酮 在 sodium hydride 作用下， 生成 (5-Bromo-benzofuran-3-yl)-acetonitrile
  参考文献：
  名称：

  Antihyperglycemic activity of novel substituted 3H-1,2,3,5-oxathiadiazole 2-oxides

  摘要：

  A series of substituted 3H-1,2,3,5-oxathiadiazole-2-oxides (6) was prepared and tested for antihyperglycemic activity in the db/db mouse, a model for type 2 (non-insulin dependent) diabetes mellitus. The oxathiadiazoles 6 were synthesized by a two-step sequence: treatment of a substituted acetonitrile (4) with hydroxylamine to give the corresponding amidoxime (5) and cyclization with thionyl chloride to yield 6. In terms of potency, the 2-naphthalenylmethyl group (as in compound 3) was found to be the optimal substituent in this series. Compound 3 was approximately 5 times more potent than ciglitazone (1).

  DOI：

  10.1021/jm00085a002

文献信息

• Benzofuran derivatives as 5-HT.sub.1 -like receptor antagonists
  申请人：Glaxo Group Limited

  公开号：US05494910A1

  公开（公告）日：1996-02-27

  This invention relates to benzofuran derivatives, to processes for their preparation, to pharmaceutical compositions containing them and to their medical use, in particular to compounds and compositions useful in the treatment of migraine. The compounds have the following general formula (I). ##STR1##

  本发明涉及苯并呋喃衍生物，其制备过程，含有它们的制药组合物以及它们的医药用途，特别是用于治疗偏头痛的化合物和组合物。这些化合物具有以下一般式（I）。##STR1##
• LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS
  申请人：InterMune, Inc.

  公开号：US20140213538A1

  公开（公告）日：2014-07-31

  Compounds, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds to treat, prevent or diagnose diseases, disorders, or conditions associated with one or more of the lysophosphatidic acid receptors are provided.

  本发明提供了化合物、制备这种化合物的方法、包含这种化合物的制药组合物和药物，以及使用这种化合物治疗、预防或诊断与一种或多种溶血磷脂酸受体相关的疾病、疾病、或病况的方法。
• 一类四氢苯并呋喃[2,3-c]吡啶类激酶抑制剂及其制备方法及用途
  申请人：上海交通大学

  公开号：CN117800979A

  公开（公告）日：2024-04-02

  本发明涉及一类四氢苯并呋喃[2,3‑c]吡啶类激酶抑制剂及其制备方法及用途。具体地，本发明化合物具有式I所示结构，其中各基团和取代基的定义如说明书中所述。本发明还公开了所述化合物的制备方法及其在抗肿瘤方面的用途。#imgabs0#
• BENZOFURAN DERIVATIVES AS 5-HT1-LIKE RECEPTOR ANTAGONISTS
  申请人：GLAXO GROUP LIMITED

  公开号：EP0664804A1

  公开（公告）日：1995-08-02
• US5494910A
  申请人：——

  公开号：US5494910A

  公开（公告）日：1996-02-27