1-methyl-3-(3'-carboxypropyl)xanthine | 69150-38-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 1-methyl-3-(3'-carboxypropyl)xanthine
• 英文别名: 1-methyl-3-(carboxypropyl)xanthine；1-methyl-3-(3-carboxypropyl)xanthine；4-(1-Methyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)butanoic acid；4-(1-methyl-2,6-dioxo-7H-purin-3-yl)butanoic acid
• CAS: 69150-38-5
• 化学式: C₁₀H₁₂N₄O₄
• 分子量: 252.23
• InChiKey: SHSDGDIOAXTJRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-甲基黄嘌呤 在 sodium hydroxide 、 sodium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 37.0h， 生成 1-methyl-3-(3'-carboxypropyl)xanthine
  参考文献：
  名称：

  Use of (pivaloyloxy)methyl as a protecting group in the synthesis of antigenic theophylline (1,3-dimethylxanthine) derivatives

  摘要：

  DOI：

  10.1021/jo01297a048

文献信息

• Theophylline antigens and antibodies
  申请人：Syva Company

  公开号：US04156081A1

  公开（公告）日：1979-05-22

  Theophylline derivatives are provided for preparing reagents for use in competitive protein binding assays and for use as reagents in competitive protein binding assays. Theophylline is substituted at the 3 position and conjugated to antigens for production of antibodies which specifically recognize theophylline as distinct from structurally similar analogs such as caffeine. Enzyme conjugates are provided which find use for measuring the amount of theophylline in a sample suspected of containing theophylline. A method is provided employing the reagents for the determination of theophylline.

  用于制备竞争性蛋白质结合分析试剂和用作竞争性蛋白质结合分析试剂的茶碱衍生物。茶碱在3位被取代并偶联到抗原上，用于产生特异性识别茶碱并与结构上类似的类似物如咖啡因区分开来的抗体。提供了酶偶联物，用于测量疑似含有茶碱的样品中茶碱的量。提供了一种使用这些试剂来确定茶碱的方法。
• Drug production using non-cross reactive antibodies
  申请人：SYNBIOTICS CORPORATION

  公开号：EP0390612A1

  公开（公告）日：1990-10-03

  A method for producing low molecular weight compounds, which are capable of binding to a naturally occurring receptor and which can be used as drugs and which mimic the three dimensional surface structure of antibodies to drug molecules, are produced by first generating a non-cross reactive antibody to a drug and then producing a low molecular weight structural mimic of the antibody.

  一种生产低分子量化合物的方法，这些化合物能够与自然存在的受体结合，可用作药物，并且模仿抗体对药物分子的三维表面结构。这些化合物首先通过生成对药物的非交叉反应性抗体，然后生产出模仿抗体的低分子量结构模拟物。
• Enzyme chromatographic immunoassay
  申请人：SYVA COMPANY

  公开号：EP0100619A1

  公开（公告）日：1984-02-15

  Chromatographic immunoassay employing a specific binding pair member and a label conjugate which delineates a border whose distance from one end of the chromatograph relates to the amount of analyte present. By combining the label conjugate and sample in a solution and immunochro- matographing the solution, or employing a combination of enzymes, one enzyme being the label and the other enzyme affixed to the chromatographic support, the position of the border defined by the label can be related to the amount of analyte in the sample solution. Preferably, an immunochromatograph is employed having both a specific binding pair member and an enzyme affixed to the support. A sample is chromatographed and the amount of analyte is determined by (1) contacting the chromatograph with a second enzyme conjugated with a specific binding pair member which binds to the chromatograph in proportion to the amount of analyte bound to the chromatograph, or (2) including the second enzyme conjugate with said sample, resulting in a defined border related to the amount of analyte in the sample. The two enzymes are related in that the substrate of one is the product of the other, so that upon contact of the chromatograph with appopriate reagents, a detectable signal develops which permits detection of the border to which the analyte traveled. This distance can be related to the amount of analyte present in the sample.

  色谱免疫测定，采用特异性结合对成员和标签共轭物，标签共轭物划定边界，边界与色谱仪一端的距离与分析物的含量有关。通过将标签共轭物和样品溶液混合并对溶液进行免疫层析，或使用酶的组合（一种酶是标签，另一种酶贴在层析支持物上），标签所定义的边界位置可与样品溶液中分析物的量相关联。 最好使用免疫层析仪，其特异性结合对成员和酶都贴在支持物上。对样品进行色谱分析，并通过以下方法确定分析物的含量：(1) 将色谱仪与与特异性结合配对构件结合的第二种酶接触，该酶与色谱仪结合的分析物含量成比例；或 (2) 将第二种酶与所述样品结合，形成与样品中分析物含量相关的确定边界。这两种酶是相关的，其中一种酶的底物是另一种酶的产物，因此当色谱仪与适当的试剂接触时，就会产生可检测的信号，从而可以检测出分析物到达的边界。这个距离与样品中的分析物含量有关。
• Assay method and kit for whole blood samples
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0143574A1

  公开（公告）日：1985-06-05

  @ Methods and assay kits are provided for detecting the presence of a member of a specific binding pair (sbp) in a whole blood sample. The sbp members consist of ligand and homologous receptor. In the method of the invention the whole blood sample, without separation of red blood cells, is combined in an aqueous buffered medium with a binding agent for the red blood cells in the sample. Where appropriate to the assay protocol, none or one or more members of a signal producing system, which is capable of producing a detectible signal, are included. At least one of the sbp members is substantially uniformly bound to a solid bibulous element. When the assay medium is contacted with a predetermined region of the solid bibulous element, the red blood cells will concentrate in an area on the bibulous element to the air/liquid interface. Furthermore, the medium will traverse the solid bibulous element. The remaining members of the signal producing system are then combined with the solid bibulous element. The signal produced as a result of the binding of the sbp members is detected and is related to the amount of the sbp member in the sample.

  提供了检测全血样本中特异性结合对（sbp）成员存在的方法和检测试剂盒。sbp 成员包括配体和同源受体。在本发明的方法中，在不分离红细胞的情况下，将全血样本与样本中红细胞的结合剂结合在水缓冲介质中。在适合检测方案的情况下，不包括或包括一个或多个能够产生可检测信号的信号产生系统成员。至少有一个 sbp 成员基本上均匀地结合在固体微粒元件上。当检测介质与固体波状元件的预定区域接触时，红细胞将集中在波状元件上的空气/液体界面区域。此外，介质将穿过固体波状元件。然后，信号产生系统的其余成员与固体波状元件结合。检测 sbp 分子结合后产生的信号，与样品中 sbp 分子的数量相关。
• Verfahren zur Bestimmung einer spezifisch bindefähigen Substanz
  申请人：BOEHRINGER MANNHEIM GMBH

  公开号：EP0349988A2

  公开（公告）日：1990-01-10

  Zur Bestimmung einer spezifisch bindefähigen Substanz durch Inkubation der Probelösung mit mindestens drei Rezeptoren R₁, R₂ und R₃, von denen R₁ und R₂ miteinan­der bindefähig sind und R₃ mit der zu bestimmenden Substanz spezifisch bindefähig ist und Messung der bei der Reaktion auftretenden Agglutination, verwendet man als Rezeptor R₁ ein Konjugat aus einem Partner eines spezifisch bindenden Paares P und einer Substanz S, die der zu bestimmenden Substanz entspricht oder ein Derivat davon ist und mindestens ein Epitop der zu bestimmenden Substanz aufweist, als R₂ einen Rezeptor, der mindestens zwei Bindungsstellen für P aufweist und als R₃ einen Rezeptor, der mindestens zwei Bindungsstellen aufweist, von denen mindestens eine spezifisch mit einem Epitop der zu bestimmenden Substanz bzw. von S bindet.

  为了通过将样品溶液与至少三个受体 R₁、R₂ 和 R₃ （其中 R₁ 和 R₂ 能够相互结合，R₃ 能够与待测定物质特异性结合）孵育来测定特异性可结合物质，并测量反应过程中发生的凝集，使用了特异性结合对 P 的伙伴与物质 S 的共轭物作为受体 R₁、作为 R₂ 受体，它至少有两个与 P 结合的位点；作为 R₃ 受体，它至少有两个结合位点，其中至少有一个与待测物质或 S 的表位特异性结合。的表位结合。