2-(3-phenylurea)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide | 27285-13-8

• 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-(3-phenylurea)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
• 英文别名: 2-(N'-Phenylureido)-4.5.6.7-tetrahydrobenzothiophensaeureamid；2-(3-phenyl-ureido)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid amide；2-[(Anilinocarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide；2-(phenylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• CAS: 27285-13-8
• 化学式: C₁₆H₁₇N₃O₂S
• 分子量: 315.396
• InChiKey: HZYRBUCNWBHBKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3-phenylurea)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide 生成 1,2,3,4,5,6,7,8-八氢苯并[4,5]噻吩并[2,3-d]嘧啶-2,4-二酮
  参考文献：
  名称：

  Beitr�ge zur Chemie schwefelhaltiger Heterocyclen, 5. Mitt.: Weitere Reaktionen in der Reihe der 5,6,7,8-Tetrahydro-[1]benzothieno[2,3-d]pyrimidine

  摘要：

  DOI：

  10.1007/bf00910242
• 作为产物：
  描述：

  环己酮 在 sulfur 、 二乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 123.0h， 生成 2-(3-phenylurea)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
  参考文献：
  名称：

  四氢苯并噻吩衍生物及其在制备糖原合酶激 酶3β抑制剂中的用途

  摘要：

  本发明公开了四氢苯并噻吩衍生物及其在制备糖原合酶激酶3β抑制剂中的用途。本发明的一种四氢苯并噻吩衍生物、其药学上可接受的盐、光学活性体或消旋体，具有通式Ⅰ所示的化学结构。实验证明，本发明所制得的化合物具有良好的GSK‑3β抑制活性。此外，本发明还提出了一种制备该四氢苯并噻吩类化合物的方法，该方法合成路线短，制备过程简单、易操作，能够满足大规模工业生产的需要。

  公开号：

  CN107253944B

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。
• HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS
  申请人：GPC Biotech AG

  公开号：EP1670804A2

  公开（公告）日：2006-06-21
• NOVEL METHODS, COMPOUNDS, AND COMPOSITIONS FOR INHIBITION OF ROS
  申请人：GRUENEBERG Dorre A.

  公开号：US20160031890A1

  公开（公告）日：2016-02-04

  The present invention relates to a method using some novel compounds and compositions for the inhibition of ROS tyrosine kinase. In particular, the present invention covers a method to treat abnormal cell growth, such as cancer, with ROS 10 inhibitors and compositions having ROS inhibitors. An illustrative compound of the invention is shown below Formula (I).
• US9963452B2
  申请人：——

  公开号：US9963452B2

  公开（公告）日：2018-05-08
• [EN] HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS<br/>[FR] COMPOSES HETEROBICYCLIQUES EN TANT QU'AGENTS ACTIFS AU NIVEAU PHARMACEUTIQUE
  申请人：AXXIMA PHARMACEUTICALS AG

  公开号：WO2005023818A2

  公开（公告）日：2005-03-17

  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.