Zymonic acid | 24891-71-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 英文名称: Zymonic acid
• 英文别名: 4-hydroxy-2-methyl-5-oxofuran-2-carboxylic acid
• CAS: 24891-71-2
• 化学式: C₆H₆O₅
• 分子量: 158.11
• InChiKey: FMOWGHRAYUFXIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• pH-biosensors based on compounds with pH-sensitive enolic groups for magnetic resonance imaging and spectroscopy and their uses
  申请人：Technische Universität München

  公开号：EP2863229A1

  公开（公告）日：2015-04-22

  The present invention relates to the use of compounds with at least one pH-sensitive chemical shift for determining pH and/or measuring pH changes in magnetic resonance. More specifically, the present invention is related to compounds with at least one pH-sensitive chemical shift, such compound being selected from pyruvic acid and its metabolites, compounds produced from pyruvic acid after interaction with acid, and compounds comprising at least one enolic group whose pKa value is lowered through effects of at least one neighboring group into a physiological and/or pathological pH-range, and wherein the compound exhibits at least one pH-sensitive chemical shift in an NMR spectrum. The present invention further relates to biosensors comprising at least one of the compounds. The present invention is furthermore related to in vitro and in vivo methods for determining pH and/or measuring pH changes using the compounds or biosensors. The present invention also relates to methods of diagnosing and/or monitoring treatment of a disease causing changes in pH wherein the compounds or biosensors are applied. The present invention also relates to use of the compounds or biosensors in quality control of food or in the examination of plants and organisms.

  本发明涉及具有至少一种 pH 值敏感化学位移的化合物在磁共振中用于确定 pH 值和/或测量 pH 值变化的用途。更具体地说，本发明涉及具有至少一个 pH 值敏感化学位移的化合物，此类化合物选自丙酮酸及其代谢物、丙酮酸与酸作用后产生的化合物、以及包含至少一个烯醇基的化合物，其 pKa 值在至少一个邻接基团的作用下降低到生理和/或病理 pH 值范围内，其中化合物在核磁共振谱中表现出至少一个 pH 值敏感化学位移。本发明还涉及包含至少一种上述化合物的生物传感器。本发明还涉及使用化合物或生物传感器确定 pH 值和/或测量 pH 值变化的体外和体内方法。本发明还涉及应用化合物或生物传感器诊断和/或监测引起 pH 值变化的疾病的治疗方法。本发明还涉及化合物或生物传感器在食品质量控制或植物和生物体检查中的用途。
• PH-BIOSENSORS BASED ON COMPOUNDS PRODUCED FROM PYRUVIC ACID FOR MAGNETIC RESONANCE IMAGING AND SPECTROSCOPY AND THEIR USES
  申请人：Technische Universität München

  公开号：EP3058375A1

  公开（公告）日：2016-08-24
• CRYSTALLINE FORMS OF BETA-SITOSTEROL
  申请人：Center for Intelligent Research in Crystal Engineering, S.L.

  公开号：EP3642215A1

  公开（公告）日：2020-04-29
• pH-Biosensors Based on Compounds Produced From Pyruvic Acid For Magnetic Resonance Imaging and Spectroscopy and Their Uses
  申请人：TECHNISCHE UNIVERSITÄT MÜNCHEN

  公开号：US20160252532A1

  公开（公告）日：2016-09-01

  The present invention relates to the use of compounds with at least one pH-sensitive chemical shift for determining pH and/or measuring pH changes in magnetic resonance. More specifically, the present invention is related to compounds with at least one pH-sensitive chemical shift, such compound being selected from pyruvic acid and its metabolites, compounds produced from pyruvic acid after interaction with acid, and compounds comprising at least one enolic group whose pK a value is lowered through effects of at least one neighboring group into a physiological and/or pathological pH-range, and wherein the compound exhibits at least one pH-sensitive chemical shift in an NMR spectrum. The present invention further relates to biosensors comprising at least one of the compounds. The present invention is furthermore related to in vitro and in vivo methods for determining pH and/or measuring pH changes using the compounds or biosensors. The present invention also relates to methods of diagnosing and/or monitoring treatment of a disease causing changes in pH wherein the compounds or biosensors are applied. The present invention also relates to use of the compounds or biosensors in quality control of food or in the examination of plants and organisms.
• [EN] PH-BIOSENSORS BASED ON COMPOUNDS PRODUCED FROM PYRUVIC ACID FOR MAGNETIC RESONANCE IMAGING AND SPECTROSCOPY AND THEIR USES<br/>[FR] BIOCAPTEURS DE PH À BASE DE COMPOSÉS PRODUITS À PARTIR D'ACIDE PYRUVIQUE POUR IMAGERIE ET SPECTROMÉTRIE PAR RÉSONANCE MAGNÉTIQUE ET LEURS UTILISATIONS
  申请人：TECH UNIVERSITÄT MÜNCHEN

  公开号：WO2015055727A1

  公开（公告）日：2015-04-23

  The present invention relates to the use of compounds with at least one pH-sensitive chemical shift for determining pH and/or measuring pH changes in magnetic resonance. More specifically, the present invention is related to compounds with at least one pH-sensitive chemical shift, such compound being selected from pyruvic acid and its metabolites, compounds produced from pyruvic acid after interaction with acid, and compounds comprising at least one enolic group whose pKa value is lowered through effects of at least one neighboring group into a physiological and/or pathological pH-range, and wherein the compound exhibits at least one pH-sensitive chemical shift in an NMR spectrum. The present invention further relates to biosensors comprising at least one of the compounds. The present invention is furthermore related to in vitro and in vivo methods for determining pH and/or measuring pH changes using the compounds or biosensors. The present invention also relates to methods of diagnosing and/or monitoring treatment of a disease causing changes in pH wherein the compounds or biosensors are applied. The present invention also relates to use of the compounds or biosensors in quality control of food or in the examination of plants and organisms.