N-(4-(1,2,3-thiadiazol-4-yl)benzyl)acrylamide

• 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: N-(4-(1,2,3-thiadiazol-4-yl)benzyl)acrylamide
• 英文别名: N-[4-(1,2,3-thiadiazol-4-yl)benzyl]acrylamide；N-[[4-(thiadiazol-4-yl)phenyl]methyl]prop-2-enamide
• 化学式: C₁₂H₁₁N₃OS
• 分子量: 245.305
• InChiKey: BAUVDQRPCWSSGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  丙烯酰氯 、 [4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine 在 Amberlyst A₂₆ (OH-form) 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 0.16h， 以59%的产率得到N-(4-(1,2,3-thiadiazol-4-yl)benzyl)acrylamide
  参考文献：
  名称：

  Efficient and Facile Synthesis of Acrylamide Libraries for Protein-Guided Tethering

  摘要：

  A kinetic template-guided tethering (KTGT) strategy has been developed for the site-directed discovery of fragments that bind to defined protein surfaces, where acrylamide-modified fragments can be irreversibly captured in a protein-templated conjugate addition reaction. Herein, an efficient and facile method is reported for the preparation of acrylamide libraries from a diverse range of amine fragments using a solid-supported quaternary amine base.

  DOI：

  10.1021/ol503486t

文献信息

• ASSAY
  申请人：Imperial Innovations Limited

  公开号：US20190293641A1

  公开（公告）日：2019-09-26

  The present invention relates to a method of measuring the rate of reaction between a target molecule and a ligand candidate, ligands of interest identified according to this method and drugs developed from such ligands. The present invention also relates to a method of measuring the rate of reaction between a thiol and a molecule capable of reacting with said thiol.
• [EN] ASSAY<br/>[FR] DOSAGE
  申请人：IMPERIAL INNOVATIONS LTD

  公开号：WO2018033753A2

  公开（公告）日：2018-02-22

  The present invention relates to a method of measuring the rate of reaction between a target molecule and a ligand candidate, ligands of interest identified according to this method and drugs developed from such ligands. The present invention also relates to a method of measuring the rate of reaction between a thiol and a molecule capable of reacting with said thiol.
• Efficient and Facile Synthesis of Acrylamide Libraries for Protein-Guided Tethering
  作者：Charlotte E. Allen、Peter R. Curran、Andrew S. Brearley、Valerie Boissel、Lilya Sviridenko、Neil J. Press、Jeffrey P. Stonehouse、Alan Armstrong

  DOI：10.1021/ol503486t

  日期：2015.2.6

  A kinetic template-guided tethering (KTGT) strategy has been developed for the site-directed discovery of fragments that bind to defined protein surfaces, where acrylamide-modified fragments can be irreversibly captured in a protein-templated conjugate addition reaction. Herein, an efficient and facile method is reported for the preparation of acrylamide libraries from a diverse range of amine fragments using a solid-supported quaternary amine base.