4-[(4-Amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino]-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate | 18481-26-0

• 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: 4-[(4-Amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino]-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate
• 英文别名: [(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]sulfanylmethyl benzoate
• CAS: 18481-26-0
• 化学式: C₂₀H₂₄N₄O₄S
• 分子量: 416.5
• InChiKey: KZZQSQPXTWSHLI-JXAWBTAJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  144
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• [EN] APTAMERS THAT BIND THIAMINE ANALOGS AND DERIVATIVES<br/>[FR] APTAMÈRES QUI LIENT LES ANALOGUES ET DÉRIVÉS DE LA THIAMINE
  申请人：MEIRAGTX UK II LTD

  公开号：WO2021191680A1

  公开（公告）日：2021-09-30

  The present disclosure relates to oligonucleotide aptamers that bind to certain small molecules including thiamine analogs and derivatives and methods of generating aptamers that bind to the small molecules. Also contemplated are riboswitches and polynucleotide cassettes comprising the aptamers disclosed herein. Further provided are methods of using said aptamers, riboswitches, and/or polynucleotide for the regulation of target genes, including therapeutic genes. Also provided herein are small molecules that are modulators of target gene expression where the target gene contains a riboswitch comprising an aptamer described herein.