3,5-Dihydroxyphenylphosphonic Acid | 1307282-67-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3,5-Dihydroxyphenylphosphonic Acid
• 英文别名: (3,5-dihydroxyphenyl)phosphonic acid
• CAS: 1307282-67-2
• 化学式: C₆H₇O₅P
• 分子量: 190.092
• InChiKey: ZQWGRBCDRGHFDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  98
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 以 水 为溶剂， 反应 20.0h， 生成 3,5-Dihydroxyphenylphosphonic Acid
  参考文献：
  名称：

  Identification of Hydroxybenzoic Acids as Selective Lactate Receptor (GPR81) Agonists with Antilipolytic Effects

  摘要：

  Following the characterization of the lactate receptor (GPR81), a focused screening effort afforded 3-hydroxybenzoic acid 1 as a weak agonist of both GPR81 and GPR109a (niacin receptor). An examination of structurally similar arylhydroxy acids led to the identification of 3-chloro-5-hydroxybenzoic acid 2, a selective GPR81 agonist that exhibited favorable in vivo effects on lipolysis in a mouse model of obesity.

  DOI：

  10.1021/ml3000676

文献信息

• Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans
  申请人：——

  公开号：US20030162753A1

  公开（公告）日：2003-08-28

  The compounds of formula (I) are hydrophilic aryl phosphate, thiophosphate, and aminophosphate intestinal apical membrane Na-mediated phosphate co-transportation inhibitors. The compounds can be administered orally, where they act to inhibit Na-dependent phosphate uptake in the intestines, or internally, where they interact with the phosphate control functions of the kidneys and parathyroid. They are useful for inhibiting sodium-mediated phosphate uptake, reducing serum PTH, calcium, calcitriol, and phosphate, and treating renal disease in an animal, including a human.

  化合物的化学式（I）为亲水性芳基磷酸酯、硫代磷酸酯和氨基磷酸酯，是肠道顶端膜Na介导的磷酸盐共同运输抑制剂。这些化合物可以经口服给药，在肠道中起到抑制Na依赖性磷酸盐摄取的作用，或者内部给药，在肾脏和甲状旁腺的磷酸盐控制功能中发挥作用。它们可用于抑制钠介导的磷酸盐摄取，降低血清PTH、钙、钙三醇和磷酸盐，治疗动物（包括人类）的肾脏疾病。
• Inhibitors of intestinal apical membrane Na/phosphate co-transportation
  申请人：——

  公开号：US20020133036A1

  公开（公告）日：2002-09-19

  The compounds of formula (I) are hydrophilic aryl phosphate, thiophosphate, and aminophosphate intestinal apical membrane Na-mediated phosphate co-transportation inhibitors. The compounds can be administered orally, where they act to inhibit Na-dependent phosphate uptake in the intestines, or internally, where they interact with the phosphate control functions of the kidneys and parathyroid. They are therefore useful for inhibiting sodium-mediated phosphate uptake, reducing serum PTH, calcium, calcitriol, and phosphate, and treating renal disease in an animal, including a human.

  式（I）的化合物是亲水性芳基磷酸酯、硫代磷酸酯和氨基磷酸酯肠道顶端膜Na介导的磷酸共运输抑制剂。这些化合物可通过口服给药，在肠道内起到抑制依赖Na的磷酸摄取的作用，或在体内与肾脏和甲状旁腺的磷酸控制功能相互作用。因此，它们对于抑制钠介导的磷酸摄取、降低血清PTH、钙、活性维生素D和磷酸盐，以及治疗动物（包括人类）的肾脏疾病非常有用。
• Polymeric ion conductor with improved thermal characteristics
  申请人：Katz Jeffrey L.

  公开号：US10066068B2

  公开（公告）日：2018-09-04

  The present disclosure provides polymers comprising at least one repeat unit represented by any one of structural formulas (IA)-(IE) disclosed herein, for example: Values for the variables are as disclosed herein. The polymers provided can be employed as ion conductors, for example in fuel cells, and have improved thermal characteristics.

  本公开提供了包含至少一个由本文所公开的结构式 (IA)-(IE) 中的任意一个所代表的重复单元的聚合物： 变量值如本文所公开。所提供的聚合物可用作离子导体，例如用于燃料电池，并具有更好的热特性。
• Method for identifying a compound useful in mitigating and/or the treatment of a disease associated with abnormal astrocytic function
  申请人：Celica BIOMEDICAL

  公开号：US11231410B2

  公开（公告）日：2022-01-25

  The present invention pertains to a method for identifying a compound that can be used in mitigating and/or the treatment of a disease associated with abnormal astrocytic function, said method comprising: (i) providing a compound; (ii) determining whether said compound is a ligand for the GPR81 receptor by determining said compound's binding energy with the GPR81 receptor using molecular dynamics (MD) simulations and comparing said binding energy to the binding energy determined for a reference compound (such as L-lactate) with the GPR81 receptor; and (iii) if said compound is determined to be a ligand for the GPR81 receptor, bringing said compound in contact with a living astrocyte and determining the cAMP level in said astrocyte contacted with said compound. The present invention further pertains to an agent elevating the cAMP level in astrocytes for use in mitigating and/or in the treatment of a disease associated with abnormal astrocytic function.

  本发明涉及一种确定可用于缓解和/或治疗与星形胶质细胞功能异常有关的疾病的化合物的方法，所述方法包括：(i) 提供化合物；(ii) 利用分子动力学（MD）确定所述化合物与 GPR81 受体的结合能，从而确定所述化合物是否为 GPR81 受体的配体：(i) 提供一种化合物；(ii) 通过使用分子动力学（MD）模拟确定所述化合物与 GPR81 受体的结合能，并将所述结合能与参考化合物（如 L-乳酸盐）与 GPR81 受体的结合能进行比较，从而确定所述化合物是否为 GPR81 受体的配体；和 (iii) 如果确定所述化合物是 GPR81 受体的配体，则使所述化合物与活的星形胶质细胞接触，并确定与所述化合物接触的所述星形胶质细胞中的 cAMP 水平。本发明进一步涉及一种提高星形胶质细胞中 cAMP 水平的制剂，用于减轻和/或治疗与星形胶质细胞功能异常相关的疾病。
• INHIBITORS OF INTESTINAL APICAL MEMBRANE NA/PHOSPHATE CO-TRANSPORTATION
  申请人：BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM

  公开号：EP1175425A2

  公开（公告）日：2002-01-30