N-(4-吡啶基)-2-噻吩甲酰胺 | 62289-82-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: N-(4-吡啶基)-2-噻吩甲酰胺
• 英文名称: thiophene-2-carboxylic acid pyridin-4-ylamide
• 英文别名: N-(pyridin-4-yl)thiophene-2-carboxamide；N-pyridin-4-ylthiophene-2-carboxamide
• CAS: 62289-82-1
• 化学式: C₁₀H₈N₂OS
• mdl: MFCD00460907
• 分子量: 204.252
• InChiKey: RKADCAQUGVEIJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  N-(4-吡啶基)-2-噻吩甲酰胺 以 乙醇 、 苯 为溶剂， 生成 Thieno-<2,3-c><1,6>diazanaphtalin
  参考文献：
  名称：

  Kanaoka,Y. et al., Heterocycles, 1977, vol. 6, p. 29 - 32

  摘要：

  DOI：
• 作为产物：
  描述：

  2-噻吩甲酸 在 N,N-二甲基甲酰胺 吡啶 、 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 23.0h， 生成 N-(4-吡啶基)-2-噻吩甲酰胺
  参考文献：
  名称：

  Design, Synthesis, and Evaluation of Inhibitors for Severe Acute Respiratory Syndrome 3C-Like Protease Based on Phthalhydrazide Ketones or Heteroaromatic Esters

  摘要：

  The 3C-like protease (3CL(pro)), which controls the severe acute respiratory syndrome (SARS) coronavirus replication, has been identified as a potential target for drug design in the treatment of SARS. A series of tetrapeptide phthalhydrazide ketones, pyridinyl esters, and their analogs have been designed, synthesized, and evaluated as potential SARS 3CL(pro) inhibitors. Some pyridinyl esters are identified as very potent inhibitors, with IC50 values in the nanomolar range (50-65 nM). Electrospray mass spectrometry indicates a mechanism involving acylation of the active site cysteine thiol for this class of inhibitors.

  DOI：

  10.1021/jm061425k

文献信息

• [EN] TOPK INHIBITING COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE TOPK
  申请人：UNIV MINNESOTA

  公开号：WO2013138341A1

  公开（公告）日：2013-09-19

  The invention provides the use of TOPK inhibitors to treat hair loss, as well as the use of a compound of formula (I) wherein R1- R8 and X have any of the values defined herein, or a pharmaceutically acceptable salt thereof to treat hair loss or cancer.

  该发明提供了利用TOPK抑制剂治疗脱发的方法，以及利用式（I）中R1-R8和X的任何取值，或其药学上可接受的盐来治疗脱发或癌症。
• KANAOKA Y.; SAN-NOHE K.; HATANAKA Y.; ITOH K.; MACHIDA M.; TERASHIMA M., HETEROCYCLES, 1977, 6, NO 1, 29-32
  作者：KANAOKA Y.、 SAN-NOHE K.、 HATANAKA Y.、 ITOH K.、 MACHIDA M.、 TERASHIMA M.

  DOI：——

  日期：——
• AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF FIBROMYALGIA SYNDROME
  申请人：AstraZeneca AB

  公开号：EP1453828A2

  公开（公告）日：2004-09-08
• [EN] AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF FIBROMYALGIA SYNDROME<br/>[FR] TRAITEMENT DU SYNDROME DE LA FIBROMYALGIE
  申请人：ASTRAZENECA AB

  公开号：WO2003032897A2

  公开（公告）日：2003-04-24

  A method for treating fibromyalgia syndrome with an agonist of α7 nicotinic acetylcholine receptors.
• Design, Synthesis, and Evaluation of Inhibitors for Severe Acute Respiratory Syndrome 3C-Like Protease Based on Phthalhydrazide Ketones or Heteroaromatic Esters
  作者：Jianmin Zhang、Hanna I. Pettersson、Carly Huitema、Chunying Niu、Jiang Yin、Michael N. G. James、Lindsay D. Eltis、John C. Vederas

  DOI：10.1021/jm061425k

  日期：2007.4.1

  The 3C-like protease (3CL(pro)), which controls the severe acute respiratory syndrome (SARS) coronavirus replication, has been identified as a potential target for drug design in the treatment of SARS. A series of tetrapeptide phthalhydrazide ketones, pyridinyl esters, and their analogs have been designed, synthesized, and evaluated as potential SARS 3CL(pro) inhibitors. Some pyridinyl esters are identified as very potent inhibitors, with IC50 values in the nanomolar range (50-65 nM). Electrospray mass spectrometry indicates a mechanism involving acylation of the active site cysteine thiol for this class of inhibitors.