(2-羟基苯基)磷酸 | 53104-46-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: (2-羟基苯基)磷酸
• 英文名称: 2-hydroxybenzenephosphonic acid
• 英文别名: (2-Hydroxyphenyl)phosphonic acid；2-hydroxyphenyl phosphonic acid；2-Hydroxy-benzolphosphonsaeure；2-Hydroxy-phenylphosphonsaeure；2-Hydroxyphenylphosphonsaeure
• CAS: 53104-46-4
• 化学式: C₆H₇O₄P
• mdl: MFCD00778041
• 分子量: 174.093
• InChiKey: VTLSGZWUFXMAOD-UHFFFAOYSA-N

物化性质

• 熔点：
  178-179 °C
• 沸点：
  414.7±47.0 °C(Predicted)
• 密度：
  1.60±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2931900090

反应信息

• 作为产物：
  描述：

  二乙基苯基磷酸酯 在 正丁基锂 、 三甲基氯硅烷 、 水 、 二异丙胺 、 sodium iodide 作用下， 以 四氢呋喃 为溶剂， 生成 (2-羟基苯基)磷酸
  参考文献：
  名称：

  o-Hydroxyaryl diphosphonic acids

  摘要：

  DOI：

  10.1021/jo00195a029

文献信息

• Method and compositions for identifying anti-HIV therapeutic compounds
  申请人：Arimilli N. Murty

  公开号：US20050239054A1

  公开（公告）日：2005-10-27

  Methods are provided for identifying anti-HIV therapeutic compounds substituted with carboxyl ester or phosphonate ester groups. Libraries of such compounds are screened optionally using the novel enzyme GS-7340 Ester Hydrolase. Compositions and methods relating to GS-7340 Ester Hydrolase also are provided.

  提供了一种识别含有羧酸酯或磷酸酯基团取代的抗HIV治疗化合物的方法。可以选择使用新型酶GS-7340酯水解酶对这类化合物库进行筛选。还提供了与GS-7340酯水解酶相关的组合物和方法。
• Inhibitors of GSK-3 and crystal structures of GSK-3 protein and protein complexes
  申请人：——

  公开号：US20030125332A1

  公开（公告）日：2003-07-03

  The present invention relates to inhibitors of GSK-3 and methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors and methods of utilizing those compositions in the treatment and prevention of various disorders, such as diabetes and Alzheimer's disease. In addition, the invention relates to molecules or molecular complexes which comprise binding pockets of GSK-3&bgr; or its homologues. The invention relates to a computer comprising a data storage medium encoded with the structure coordinates of such binding pockets. The invention also relates to methods of using the structure coordinates to solve the structure of homologous proteins or protein complexes. The invention relates to methods of using the structure coordinates to screen for and design compounds that bind to GSK-3&bgr; protein or homologues thereof. The invention also relates to crystallizable compositions and crystals comprising GSK-3&bgr; protein or GSK-3&bgr; protein complexes.

  本发明涉及GSK-3的抑制剂及制备这些抑制剂的方法。本发明还提供了包含这些抑制剂的药物组合物，并提供了利用这些组合物在治疗和预防各种疾病，如糖尿病和阿尔茨海默病等方面的方法。此外，本发明涉及包含GSK-3β或其同源物的结合口袋的分子或分子复合物。本发明涉及一种计算机，其包括一个数据存储介质，编码有这些结合口袋的结构坐标。本发明还涉及利用这些结构坐标来解决同源蛋白质或蛋白质复合物的结构的方法。本发明涉及利用这些结构坐标来筛选和设计能够结合到GSK-3β蛋白或其同源物的化合物的方法。本发明还涉及包含GSK-3β蛋白或GSK-3β蛋白复合物的可结晶组合物和晶体。
• Phosphoryl Analogs of Salicylic Acid: Synthesis and Analgesic and Anti-Inflammatory Activity
  作者：V. E. Baulin、I. P. Kalashnikova、Yu. B. Vikharev、E. A. Vikhareva、D. V. Baulin、A. Yu. Tsivadze

  DOI：10.1134/s1070363218090049

  日期：2018.9

  unexplored phosphoryl analogs of salicylic acid (2-hydroxyphenylphosphonic and 2-hydroxyphenylphosphinic acids) has been developed for the search of novel nonsteroidal anti-inflammatory drugs. It has been shown that 2-hydroxyphenylphosphinic acid is a lowtoxic compound (LD50 3500 mg/kg) exhibiting analgesic activity significantly higher than both 2-hydroxyphenylphosphonic acid and the reference compound

  为了寻找新型非甾体抗炎药，已经开发了合成上方便的制备水杨酸未开发的磷酰基类似物（2-羟基苯基膦酸和2-羟基苯基次膦酸）的方法。已表明2-羟基苯基次膦酸是一种低毒化合物（LD 50 3500 mg / kg），其镇痛活性明显高于2-羟基苯基膦酸和参比化合物（间咪唑钠）。
• Competitive immunoassay
  申请人：Beechem Joseph

  公开号：US20060160068A1

  公开（公告）日：2006-07-20

  The present invention provides ligand-detection reagents, ligand analogs and methods for determining the presence of a ligand in a sample. The ligand-detection reagent comprises a ligand-binding antibody and a ligand analog to form an antibody-ligand analog complex wherein the ligand analog is covalently bonded to a reporter molecule. This complex may additionally comprise a labeling protein non-covalently bonded to the antibody to form a ternary complex wherein the labeling protein comprises a monovalent antibody fragment or a non-antibody protein that is covalently bonded to a label moiety. The reporter molecule is either quenched by the ligand-binding antibody or by the label moiety of the labeling protein, depending on the reporter molecule and the ligand-binding antibody, wherein the amount of quenching is directly related to the amount of ligand present in the sample. Alternatively, the ligand analog is fluorogenic wherein the ligand analog is essentially non-fluorescent in solution but when bound by the ligand-binding antibody the detectable signal increases. In this instance a decrease in signal, as opposed to the relieving of quenching, is measured for the presence of a target ligand.

  本发明提供了配体检测试剂、配体类似物和用于确定样品中配体存在的方法。该配体检测试剂包括一个配体结合抗体和一个配体类似物，形成一个抗体-配体类似物复合物，其中配体类似物与一个报告分子共价结合。该复合物还可以包括一个标记蛋白，非共价结合于抗体上，形成一个三元复合物，其中标记蛋白包括单价抗体片段或共价结合于标记基团的非抗体蛋白。报告分子可以被配体结合抗体或标记蛋白的标记基团熄灭，具体取决于报告分子和配体结合抗体，其中熄灭的程度与样品中配体的数量直接相关。或者，配体类似物是荧光原性的，其中配体类似物在溶液中基本上不发荧光，但当被配体结合抗体结合时，可检测的信号增加。在这种情况下，对于目标配体的存在，测量的是信号的降低，而不是熄灭的缓解。
• Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds
  申请人：Arimilli N. Murty

  公开号：US20050209197A1

  公开（公告）日：2005-09-22

  Phosphonate substituted compounds with HIV protease inhibitory properties having use as therapeutics and for other industrial purposes are disclosed. The compositions inhibit HIV protease activity and/or are useful therapeutically for the treatment of AIDS and other antiviral infections, as well as in assays for the detection of HIV protease.

  本发明揭示了具有抗HIV蛋白酶活性的膦酸酯取代化合物，可用作治疗剂和其他工业用途。该组合物抑制HIV蛋白酶活性和/或在治疗艾滋病和其他抗病毒感染方面有用，以及在检测HIV蛋白酶的测定中有用。