6-nitrobenzo[b]thiophene-2-carbonyl chloride | 1374760-93-6

• 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: 6-nitrobenzo[b]thiophene-2-carbonyl chloride
• 英文别名: 6-Nitro-1-benzothiophene-2-carbonyl chloride
• CAS: 1374760-93-6
• 化学式: C₉H₄ClNO₃S
• 分子量: 241.655
• InChiKey: UKJPYYCFKHHDLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  15
• 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：
  91.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-nitrobenzo[b]thiophene-2-carbonyl chloride 、 ethyl 2-(4-amino-2-benzoylphenylamino)-2-oxoacetate 在 N,N-二异丙基乙胺 作用下， 以 甲苯 为溶剂， 反应 0.5h， 以90%的产率得到ethyl 2-(2-benzoyl-4-(6-nitrobenzo[b]thiophene-2-carboxamido)phenylamino)-2-oxoacetate
  参考文献：
  名称：

  Synthesis and biological evaluation of novel human Pin1 inhibitors with benzophenone skeleton

  摘要：

  A series of novel benzophenone derivatives were prepared and their inhibitory activities were evaluated on hPin1. Of all the synthesized compounds, the most active compound displayed inhibitory activities with an IC50 value of 5.99 mu mol/L. Preliminary structure-activity relationships were analyzed in details and the binding mode of the titled compounds was predicted using FlexX algorithm. The results of this research will shed light on further design and optimization of novel small molecule Pin1 inhibitors. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.03.005

文献信息

• GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS
  申请人：AXOVANT SCIENCES GMBH

  公开号：US20170369486A1

  公开（公告）日：2017-12-28

  The present invention relates to novel geminal substituted quinuclidine amide compounds, and pharmaceutical compositions of the same, that are suitable as agonists or partial agonists of α7-nAChR, and methods of preparing these compounds and compositions, and the use of these compounds and compositions in methods of maintaining, treating and/or improving cognitive function. In particular, methods of administering the compound or composition to a patient in need thereof, for example a patient with a cognitive deficiency and/or a desire to enhance cognitive function, that may derive a benefit therefrom.