3-fluorobenzo[b]thiophene | 1038780-99-2

• 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-fluorobenzo[b]thiophene
• 英文别名: 3-fluoro-1-benzothiophene
• CAS: 1038780-99-2
• 化学式: C₈H₅FS
• 分子量: 152.192
• InChiKey: FFHRKUDPEYUQSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-fluorobenzo[b]thiophene 在 盐酸 、 sodium carbonate 作用下， 以 乙醚 、 水 、 乙酸乙酯 、 三氟乙酸 为溶剂， 反应 0.37h， 生成 4-(3-fluorobenzo[b]thiophen-2-yl)-3,4-dihydroquinazoline hydrochloride
  参考文献：
  名称：

  In vivo phenotypic drug discovery: applying a behavioral assay to the discovery and optimization of novel antipsychotic agents

  摘要：

  一种基于老鼠的检测方法（SmartCube）被用于一种新型抗精神病药物的筛选和首选优化。

  DOI：

  10.1039/c6md00128a
• 作为产物：
  描述：

  3-溴苯并噻吩 在 异丙基氯化镁 、 lithium chloride 、 N-氟代双苯磺酰胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以29%的产率得到3-fluorobenzo[b]thiophene
  参考文献：
  名称：

  Analysis of the Concerted Metalation-Deprotonation Mechanism in Palladium-Catalyzed Direct Arylation Across a Broad Range of Aromatic Substrates

  摘要：

  The concerted metalation-deprotonation mechanism predicts relative reactivity and regioselectivity for a diverse set of arenes spanning the entire spectrum of known palladium-catalyzed direct arylation coupling partners. An analysis following an active strain model provides a more complete portrayal of the important arene/catalyst parameters leading to a successful coupling. The breadth of arenes whose reactivity can be predicted by the CMD mechanism indicates that it may be far more widespread than previously imagined.

  DOI：

  10.1021/ja802533u

文献信息

• Analysis of the Concerted Metalation-Deprotonation Mechanism in Palladium-Catalyzed Direct Arylation Across a Broad Range of Aromatic Substrates
  作者：Serge I. Gorelsky、David Lapointe、Keith Fagnou

  DOI：10.1021/ja802533u

  日期：2008.8.1

  The concerted metalation-deprotonation mechanism predicts relative reactivity and regioselectivity for a diverse set of arenes spanning the entire spectrum of known palladium-catalyzed direct arylation coupling partners. An analysis following an active strain model provides a more complete portrayal of the important arene/catalyst parameters leading to a successful coupling. The breadth of arenes whose reactivity can be predicted by the CMD mechanism indicates that it may be far more widespread than previously imagined.
• THERAPEUTIC USE OF ACTIVATORS OF ZINC FINGER PROTEIN GLI3
  申请人：Universität Leipzig

  公开号：EP2806884A1

  公开（公告）日：2014-12-03
• Therapeutic Use of Activators of Zinc Finger Protein GL13
  申请人：Universtität Leipzig

  公开号：US20140336111A1

  公开（公告）日：2014-11-13

  The present invention relates to the therapeutic use of activators of the zinc finger protein GLI3 in diseases that are associated with reduced Hedgehog signaling in hepatocytes, in particular Polycystic ovary syndrome, Steatosis hepatis, Steatohepatit is and/or Adipositas. The invention further relates to methods of treating an individual with said activator, a pharmaceutical composition comprising said activator and the use of said activator as food supplement.
• US9540648B2
  申请人：——

  公开号：US9540648B2

  公开（公告）日：2017-01-10
• [EN] THERAPEUTIC USE OF ACTIVATORS OF ZINC FINGER PROTEIN GLI3<br/>[FR] UTILISATION THÉRAPEUTIQUE D'ACTIVATEURS DE LA PROTÉINE À DOIGT DE ZINC GLI3
  申请人：UNIV LEIPZIG

  公开号：WO2013110749A1

  公开（公告）日：2013-08-01

  The present invention relates to the therapeutic use of activators of the zinc finger protein GLI3 in diseases that are associated with reduced Hedgehog signaling in hepatocytes, in particular Polycystic ovary syndrome,Steatosis hepatis, Steatohepatitis and/or Adipositas. The invention further relates to methods of treating an individual with said activator, a pharmaceutical composition comprising said activator and the use of said activator as food supplement.