3-hydroxy-benzo[b]thiophene-2-carboxylic acid amide | 56424-73-8

• 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-hydroxy-benzo[b]thiophene-2-carboxylic acid amide
• 英文别名: 3-Hydroxy-benzo[b]thiophen-2-carbonsaeure-amid；3-Hydroxybenzothiophen-2-carboxamid；Hydroxybenzothiophene amide；3-hydroxy-1-benzothiophene-2-carboxamide
• CAS: 56424-73-8
• 化学式: C₉H₇NO₂S
• 分子量: 193.226
• InChiKey: HTILUUALMNRENB-UHFFFAOYSA-N

物化性质

• 熔点：
  208 °C
• 沸点：
  437.0±30.0 °C(Predicted)
• 密度：
  1.484±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Chloropiperidinecarboxylic acid 、 3-hydroxy-benzo[b]thiophene-2-carboxylic acid amide 以to yield (piperidin-4-yloxy)benzothiopheneamide 5的产率得到(Piperidin-4-yloxy)benzothiopheneamide
  参考文献：
  名称：

  AMPK-activating piperidinyloxy-substituted 2,3-dihydro-1H-indene-1-amine compounds and pharmaceutical compositions including the same

  摘要：

  本发明涉及羧酰胺、磺酰胺和胺化合物，包括某些激活AMPK的哌啶基取代的2,3-二氢-1H-茚烯-1-胺化合物，以及包括它们的制药组合物。其中一种实施方式是具有以下结构的化合物，其中R1、R3、R4、R5、R14、R15、R17、G、Q、k、v、x和y如本文所述。在某些实施方式中，本文所披露的化合物可以激活AMPK途径，并可用于治疗与代谢相关的疾病和病况。

  公开号：

  US09174964B2
• 作为产物：
  描述：

  2-[(2-氨基-2-氧乙基)硫代]苯甲酸 在 sodium hydroxide 、 甲苯 作用下， 生成 3-hydroxy-benzo[b]thiophene-2-carboxylic acid amide
  参考文献：
  名称：

  McClelland; Reissert; Bartlett, Journal of the Chemical Society, 1940, p. 325

  摘要：

  DOI：

文献信息

• [EN] CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS<br/>[FR] COMPOSÉS DE CARBOXAMIDE, DE SULFONAMIDE ET D'AMINE POUR DES TROUBLES MÉTABOLIQUES
  申请人：RIGEL PHARMACEUTICALS INC

  公开号：WO2009065131A1

  公开（公告）日：2009-05-22

  Disclosed are carboxamide, sulfonamide and amine compounds, as well as pharmaceutical compositions and methods of use. One embodiment is a compound having the structure in which R1, R2, R4, E, T, n and x are as described herein. In certain embodiments, a compound disclosed herein activates the AMPK pathway, and can be used to treat metabolism-related disorders and conditions.

  揭示了羧酰胺、磺胺酰胺和胺化合物，以及药物组合物和使用方法。其中一种实施例是具有以下结构的化合物，其中R1、R2、R4、E、T、n和x如本文所述。在某些实施例中，本文所披露的化合物可以激活AMPK途径，并可用于治疗与代谢有关的疾病和症状。
• AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：US08119809B2

  公开（公告）日：2012-02-21

  Disclosed are carboxamide, sulfonamide and amine compounds, as well as pharmaceutical compositions and methods of use. One embodiment is a compound having the structure in which R1, R2, R4, E, T, n and x are as described herein. In certain embodiments, a compound disclosed herein activates the AMPK pathway, and can be used to treat metabolism-related disorders and conditions.

  本发明涉及羧酰胺、磺酰胺和胺化合物，以及制备其药物组合物和使用方法。其中一种实施例是具有以下结构的化合物，其中R1、R2、R4、E、T、n和x如本文所述。在某些实施例中，本文所述的化合物可以激活AMPK途径，并可用于治疗与代谢相关的疾病和症状。
• AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same
  申请人：Hong Hui

  公开号：US20120115838A1

  公开（公告）日：2012-05-10

  Disclosed are carboxamide, sulfonamide and amine compounds, as well as pharmaceutical compositions and methods of use. One embodiment is a compound having the structure in which R 1 , R 2 , R 4 , E, T, n and x are as described herein. In certain embodiments, a compound disclosed herein activates the AMPK pathway, and can be used to treat metabolism-related disorders and conditions.

  本发明涉及羧酰胺、磺酰胺和胺类化合物，以及药物组合物和使用方法。其中一种实施方式是具有以下结构的化合物，其中R1、R2、R4、E、T、n和x如本文所述。在某些实施方式中，本文所披露的化合物可以激活AMPK通路，并可用于治疗代谢相关的疾病和症状。
• AMPK-activating piperidinyloxypyiridine carboxamide and sulfonamide compounds and methods for using the same
  申请人：Hong Hui

  公开号：US08569340B2

  公开（公告）日：2013-10-29

  Disclosed are carboxamide, sulfonamide and amine compounds, as well as pharmaceutical compositions and methods of use. One embodiment is a compound having the structure in which R1, R2, R4, E, T, n and x are as described herein. In certain embodiments, a compound disclosed herein activates the AMPK pathway, and can be used to treat metabolism-related disorders and conditions.

  本文揭示了羧酰胺、磺酰胺和胺类化合物，以及药物组合物和使用方法。其中一种实施例是具有以下结构的化合物：其中R1、R2、R4、E、T、n和x如本文所述。在某些实施例中，本文所揭示的化合物可以激活AMPK通路，并可用于治疗与代谢相关的疾病和症状。
• Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same
  申请人：Hong Hui

  公开号：US20090170829A1

  公开（公告）日：2009-07-02

  Disclosed are carboxamide, sulfonamide and amine compounds, as well as pharmaceutical compositions and methods of use. One embodiment is a compound having the structure in which R 1 , R 2 , R 4 , E, T, n and x are as described herein. In certain embodiments, a compound disclosed herein activates the AMPK pathway, and can be used to treat metabolism-related disorders and conditions.

  本发明涉及羧酰胺、磺酰胺和胺化合物，以及制备药物组合物和使用方法。其中一种实施方式是具有下列结构的化合物： 其中R1、R2、R4、E、T、n和x的定义如本文所述。在某些实施方式中，本文所披露的化合物可以激活AMPK途径，并可用于治疗与代谢有关的疾病和症状。