2-[(4-Methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[(4-Methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• 化学式: C₁₆H₁₈N₂O₃S₂
• 分子量: 350.463
• InChiKey: TYSREBPYCXJABW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  126
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  镍 、 2-[(4-Methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 在 potassium chloride 作用下， 以 乙醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Complexing Properties of 3-Substituted-2-(aryl-, methyl)sulfonylamino-4,5,6,7-tetrahydrobenzo[b]thiophenes with Nonferrous Metal Ions in Ammonia Media

  摘要：

  The complexation of 3-substituted-2-(aryl-,methyl)sulfonylamino-4,5,6,7-tetrahydrobenzo[b]thiophenes with Cu(II), Co(II), and Ni(II) ions in ammonia media was studied. Different types of complexes with Cu(II) ions were found depending on pH: with a ratio of 1:2 at pH of similar to 4-5 and 1:1 at pH of similar to 8-10. For the Co(II) and Ni(II) ions, the formation of 1:1 complexes at pH of similar to 9-10 was established. The Cu(II), Co(II), and Ni(II) complexes [Cu(HL)(2)center dot 2H(2)O] and [ML center dot 2H(2)O] were separated and identified, and their solubility products were calculated. The effect of the nature of the functional group in the third position of the thiophene ring on the properties of the complexes of reagents with nonferrous metal ions was shown.

  DOI：

  10.1134/s003602361807015x
• 作为产物：
  描述：

  对甲苯磺酰氯 、 2-氨基-4,5,6,7-四氢苯并[b]噻吩-3-甲酰胺 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 2-[(4-Methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  参考文献：
  名称：

  Complexing Properties of 3-Substituted-2-(aryl-, methyl)sulfonylamino-4,5,6,7-tetrahydrobenzo[b]thiophenes with Nonferrous Metal Ions in Ammonia Media

  摘要：

  The complexation of 3-substituted-2-(aryl-,methyl)sulfonylamino-4,5,6,7-tetrahydrobenzo[b]thiophenes with Cu(II), Co(II), and Ni(II) ions in ammonia media was studied. Different types of complexes with Cu(II) ions were found depending on pH: with a ratio of 1:2 at pH of similar to 4-5 and 1:1 at pH of similar to 8-10. For the Co(II) and Ni(II) ions, the formation of 1:1 complexes at pH of similar to 9-10 was established. The Cu(II), Co(II), and Ni(II) complexes [Cu(HL)(2)center dot 2H(2)O] and [ML center dot 2H(2)O] were separated and identified, and their solubility products were calculated. The effect of the nature of the functional group in the third position of the thiophene ring on the properties of the complexes of reagents with nonferrous metal ions was shown.

  DOI：

  10.1134/s003602361807015x

文献信息

• Heterobicyclic Compounds as Pharmaceutically Active Agents
  申请人：Koul Anil

  公开号：US20070275962A1

  公开（公告）日：2007-11-29

  Described are heterobicyclic compounds such as 4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid amides, 4,7-dihydro-5H-thieno[2,3-c]thiopyran 3-carboxylic acid amides, 4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid amides, or benzo[b]thiophene-3-carboxylic acid amides and pharmaceutically acceptable salts thereof, the use of these derivatives for the prophylaxis and/or treatment of various diseases such as infectious diseases, including mycobacteriainduced infections and opportunistic diseases, prion diseases, immunological diseases, autoimmune diseases, bipolar and clinical disorders, cardiovascular diseases, cell proliferative diseases, diabetes, inflammation, transplant rejections, erectile dysfunction, neurodegenerative diseases and stroke, as well as compositions containing at least one heterobicyclic compound and/or pharmaceutically acceptable salts thereof. Furthermore, reaction procedures for the synthesis of the heterobicyclic compound are disclosed.

  本文介绍了异杂双环化合物，例如4,5,6,7-四氢苯并[b]噻吩-3-羧酸酰胺，4,7-二氢-5H-噻吩[2,3-c]硫杂吡喃-3-羧酸酰胺，4,7-二氢-5H-噻吩[2,3-c]吡喃-3-羧酸酰胺，或苯并[b]噻吩-3-羧酸酰胺及其药学上可接受的盐。这些衍生物的用途包括预防和/或治疗各种疾病，如传染性疾病，包括分支杆菌感染和机会性疾病，朊病，免疫性疾病，自身免疫性疾病，双相和临床障碍，心血管疾病，细胞增殖性疾病，糖尿病，炎症，移植排斥，勃起功能障碍，神经退行性疾病和中风，以及含有至少一种异杂双环化合物和/或药学上可接受的盐的组合物。此外，还公开了合成异杂双环化合物的反应程序。
• Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor
  申请人：——

  公开号：US20040171603A1

  公开（公告）日：2004-09-02

  Described herein is the discovery that certain mycobacterial serine/threonine protein kinases, particularly protein kinase G (PknG), are effective therapeutic targets for the treatment of mycobacterial infections. Furthermore, the present application refers to the use of mycobacterial serine/threonine protein kinases for developing methods for detection and determination of these kinases for recognizing and monitoring diseases and for controlling therapy of diseases. Additionally disclosed are novel 4,5,6,7-tetrahydrobenzo[b]thiophene compounds, benzo(g)quinoxaline compounds, and pharmaceutically acceptable salts thereof, and methods of using such compounds and salts thereof for the prophylaxis and/or treatment of virally and/or bacterially induced infections, particularly mycobacteria-induced infections, including opportunistic infections, as well as pharmaceutical compositions containing at least one 4,5,6,7-tetrahydrobenzo[b]thiophene compound and/or benzo(g)quinoxaline compound and/or pharmaceutically acceptable salts thereof in a pharmaceutically acceptable carrier.

  本文描述的是发现某些分枝杆菌丝氨酸/苏氨酸蛋白激酶，特别是蛋白激酶 G (PknG)，是治疗分枝杆菌感染的有效治疗靶点。此外，本申请还涉及利用分枝杆菌丝氨酸/苏氨酸蛋白激酶开发检测和测定这些激酶的方法，用于识别和监测疾病以及控制疾病的治疗。此外，还公开了新型 4,5,6,7-四氢苯并[b]噻吩化合物、苯并（g）喹喔啉化合物及其药学上可接受的盐，以及使用此类化合物及其盐预防和/或治疗病毒和/或细菌引起的感染，特别是分枝杆菌引起的感染（包括机会性感染）的方法，以及含有至少一种 4,5,6,7-四氢苯并&lsqb；b]噻吩化合物和/或苯并(g)喹喔啉化合物和/或其药学上可接受的盐，并将其置于药学上可接受的载体中。
• 4,5,6,7-TRETRAHYDROBENZO(B) THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS
  申请人：Axxima Pharmaceuticals AG

  公开号：EP1492783A1

  公开（公告）日：2005-01-05
• HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS
  申请人：GPC Biotech AG

  公开号：EP1670804A2

  公开（公告）日：2006-06-21
• 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections
  申请人：Missio Andrea

  公开号：US20090018149A1

  公开（公告）日：2009-01-15

  Described are 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and pharmaceutically acceptable salts thereof, the use of these derivatives for the prophylaxis and/or treatment of mycobacteria-induced infections and opportunistic infections, as well as compositions containing at least one 4,5,6,7-tetrahydrobenzo[b]thiophene derivative and/or pharmaceutically acceptable salts thereof. Furthermore, the present application refers to the use of mycobacterial protein serine/threonine kinases for developing methods for detection and determination of these kinases for recognising and monitoring diseases and for controlling therapy of diseases.