benzo[b]thiophene-3-sulfonic acid | 90321-78-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: benzo[b]thiophene-3-sulfonic acid
• 英文别名: Thionaphthensulfonsaeure-(3)；Benzo[b]thiophene-3-sulfonic acid；1-benzothiophene-3-sulfonic acid
• CAS: 90321-78-1
• 化学式: C₈H₆O₃S₂
• 分子量: 214.266
• InChiKey: WPDGZGLZEMZUIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 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
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  benzo[b]thiophene-3-sulfonic acid 在 potassium chloride 作用下， 以 水 为溶剂， 生成 potassium 3-thianaphthenesulfonate
  参考文献：
  名称：

  Synthesis and structure–activity relationship of 1H-indole-3-carboxylic acid pyridine-3-ylamides: A novel series of 5-HT2C receptor antagonists

  摘要：

  A novel series of 1H-indole-3-carboxylic acid pyridine-3-ylamides were synthesized and identified to show high affinity and selectivity for 5-HT2C receptor. Among them, 1H-indole-3-carboxylic acid[6-(2chloro-pyridin-3-yloxy)-pyridin-3-yl]-amide (15k) exhibits the highest affinity (IC50 = 0.5 nM) with an excellent selectivity (>2000 times) over other serotonin (5-HT1A, 5-HT2A, and 5-HT6) and dopamine (D-2-D-4) receptors. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.064
• 作为产物：
  描述：

  苯并噻吩 在 硫酸 、 乙酸酐 作用下， 反应 2.5h， 生成 benzo[b]thiophene-3-sulfonic acid
  参考文献：
  名称：

  Synthesis and structure–activity relationship of 1H-indole-3-carboxylic acid pyridine-3-ylamides: A novel series of 5-HT2C receptor antagonists

  摘要：

  A novel series of 1H-indole-3-carboxylic acid pyridine-3-ylamides were synthesized and identified to show high affinity and selectivity for 5-HT2C receptor. Among them, 1H-indole-3-carboxylic acid[6-(2chloro-pyridin-3-yloxy)-pyridin-3-yl]-amide (15k) exhibits the highest affinity (IC50 = 0.5 nM) with an excellent selectivity (>2000 times) over other serotonin (5-HT1A, 5-HT2A, and 5-HT6) and dopamine (D-2-D-4) receptors. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.064

文献信息

• [EN] 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS<br/>[FR] 3,4-DIARYLPYRAZOLES UTILISÉS COMME INHIBITEURS DE PROTÉINE KINASE
  申请人：NERVIANO MEDICAL SCIENCES SRL

  公开号：WO2010010154A1

  公开（公告）日：2010-01-28

  3,4-diarylpyrazole derivatives of formula (I) as defined in the specification, and pharmaceutically acceptable salts thereof, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.

  公开了规范中定义的式(I)的3,4-二芳基吡唑衍生物及其药用盐，其制备方法和包含它们的药物组合物；发明的化合物可能在治疗中对治疗与蛋白激酶活性失调相关的疾病，如癌症，具有用处。
• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Spevak Wayne

  公开号：US20080167338A1

  公开（公告）日：2008-07-10

  Compounds active on protein kinases are described, as well as methods of using such compounds to treat diseases and conditions associated with aberrant activity of protein kinases.

  描述了对蛋白激酶活性有作用的化合物，以及使用这些化合物来治疗与蛋白激酶异常活性相关的疾病和病况的方法。
• Substituted Azetidine compounds, their preparation and use as medicaments
  申请人：Cuberes Altisen Rosa

  公开号：US20050187208A1

  公开（公告）日：2005-08-25

  The present invention relates to substituted Azetidine compounds of general formula (I), methods for their preparation, medicaments comprising these compounds as well as their use for the preparation of a medicament for the treatment of humans and animals.

  本发明涉及通式（I）的取代氮杂环丙烷化合物，其制备方法，包含这些化合物的药物以及它们用于制备治疗人类和动物的药物的用途。
• [EN] CCR9 INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE CCR9 ET UTILISATION DE CEUX-CI
  申请人：MILLENNIUM PHARM INC

  公开号：WO2003099773A1

  公开（公告）日：2003-12-04

  The invention relates to compounds represented by Structural Formula I, which can bind to CCR9 receptors and block the binding of a ligand (e.g., TECK) to the receptors. The invention also relates to a method of inhibiting a function of CCR9, and to the use compounds represented by Structural Formula I in research, therapeutic, prophylactic and diagnostic methods.

  该发明涉及由结构式I表示的化合物，这些化合物可以结合到CCR9受体并阻止配体（例如TECK）与受体的结合。该发明还涉及一种抑制CCR9功能的方法，以及在研究、治疗、预防和诊断方法中使用由结构式I表示的化合物。
• 5-HT7 receptor antagonists
  申请人：Torrens Jover Antoni

  公开号：US20060040978A1

  公开（公告）日：2006-02-23

  The invention relates to compounds having pharmacological activity towards the 5-HT7 receptor, and more particularly to some tetrahydroisoquinoline substituted sulfonamide compounds, to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use for the treatment and or prophylaxis of a disease in which 5-HT is involved, such as CNS disorders.

  这项发明涉及具有对5-HT7受体具有药理活性的化合物，更特别地涉及一些四氢异喹啉取代磺胺基化合物，以及制备这些化合物的过程，包括含有它们的药物组合物，并且用于治疗和/或预防涉及5-HT的疾病，如中枢神经系统紊乱。