(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-[6-(2-aminoethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate | 59587-50-7

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - （5'->5'）-二核苷酸
• 英文名称: (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-[6-(2-aminoethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
• CAS: 59587-50-7
• 化学式: C23H32N8O14P2
• 分子量: 706.5
• InChiKey: SPEHZVWWLGJQLD-BSLNIGMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.4
• 重原子数：
  47
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  333
• 氢给体数：
  8
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  D-生物素 、 (2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-[6-(2-aminoethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate 、 1-环己基-3-[2-(4-吗啉基)乙基]碳化二亚胺 、 盐酸 在 sodium hydroxide 乙醚 、 水 作用下， 以 水 、 丙酮 为溶剂， 反应 5.0h， 生成 Nicotinamide adenine dinucleotide biotin
  参考文献：
  名称：

  Homogeneous specific binding assay method

  摘要：

  一种测试组成物、装置及其在均相特异性结合测定中的使用方法，该方法使用具有反应活性即反应物的标记物质来检测液体介质中的配体。该测试组成物和装置包括一个由特异性结合物质和反应物组成的共轭物。反应物有利地是一种酶反应物，例如酶底物或辅酶。共轭反应物作为预定反应的组分的活性受到共轭物中特异性结合物质与其特异性结合对应物之间的反应的影响。可以使用竞争性或置换结合或顺序饱和技术来确定液体介质中的配体，其中共轭物中的特异性结合物质是配体或其特异性结合类似物，或者使用直接结合技术，其中特异性结合物质是配体的特异性结合伴侣。特异性结合反应对共轭反应物的活性的影响与测试液体介质中的配体的存在或数量有关。

  公开号：

  US04629688A1

文献信息

• Homogeneous chemiluminescent specific binding assay
  申请人：Miles Laboratories, Inc.

  公开号：US04383031A1

  公开（公告）日：1983-05-10

  A homogeneous specific binding assay which employs a substance having reactant activity, i.e., a reactant, in a chemiluminescent reaction as a labeling substance in the detection of a ligand in a liquid medium. The assay employs a conjugate formed of a specific binding substance coupled to the chemiluminescent reactant. The activity of the conjugated reactant as a constituent of the chemiluminescent reaction is affected by reaction between the specific binding substance in the conjugate and a specific binding counterpart thereto. The presence of a ligand in a liquid medium may be determined using competitive or displacement binding or sequential saturation techniques wherein the specific binding substance in the conjugate is the ligand or a specific binding analog thereof, or using a direct binding technique wherein the specific binding substance is a specific binding partner of the ligand. The effect of the specific binding reaction on the chemiluminescent activity of the conjugated reactant is related to the presence or amount of the ligand in the liquid medium tested.

  一种同质特异性结合测定法，利用具有反应活性的物质（即反应物）在化学发光反应中作为标记物质，在液体介质中检测配体。该测定法使用由特异性结合物质与化学发光反应物质偶联形成的共轭物质。共轭反应物作为化学发光反应的组成部分的活性受到共轭中特异性结合物质与其特异性结合对应物之间的反应的影响。可以使用竞争性或置换结合或顺序饱和技术来确定液体介质中配体的存在，其中共轭中的特异性结合物质是配体或其特异性结合类似物，或者使用直接结合技术，其中特异性结合物质是配体的特异性结合伙伴。特异性结合反应对共轭反应物的化学发光活性的影响与测试液体介质中配体的存在或数量有关。
• Heterogenous chemiluminescent specific binding assay
  申请人：Miles Laboratories, Inc.

  公开号：US04380580A1

  公开（公告）日：1983-04-19

  A heterogeneous specific binding assay which employs a substance having reactant activity, i.e., a reactant, in a chemiluminescent reaction as a labeling substance in the detection of a ligand in a liquid medium. The method is carried out using reagent means which comprises, as its labeled constituent, a conjugate formed of a specific binding substance coupled to the chemiluminescent reactant. The activity of the conjugated reactant in the chemiluminescent reaction, i.e., the production of light, is utilized as means for monitoring the extent of binding of the labeled constituent in conventional heterogeneous specific binding assay schemes. The presence of a ligand in a liquid medium may be determined following conventional competitive binding manipulative techniques. After the necessary separation of the bound- and free-phases resulting in the specific binding reaction system, the extent of binding of the labeled constituent is determined by contacting either phase with the necessary materials to form the chemiluminescent monitoring reaction and measuring the light produced.

  这是一种异质性特异性结合测定法，其利用具有反应活性的物质，即反应物，在化学发光反应中作为标记物质来检测液体介质中的配体。该方法使用试剂组分，其中包括一个特异性结合物质与化学发光反应物质结合形成的共轭物。共轭反应物质在化学发光反应中的活性，即产生光的能力，被用作监测标记物质在传统的异质性特异性结合测定方案中结合程度的手段。可以通过传统的竞争结合操作技术来确定液体介质中配体的存在。在特异性结合反应系统中必要的结合和游离相分离后，通过与必要的材料接触形成化学发光监测反应，并测量产生的光来确定标记物质的结合程度。
• Heterogenous specific binding assay employing a coenzyme as label
  申请人：Miles Laboratories, Inc.

  公开号：US04230797A1

  公开（公告）日：1980-10-28

  An improved heterogeneous specific binding assay method which employs a substance having reactant activity, i.e., a reactant, as a labeling substance in the detection of a ligand in a liquid medium. The method is carried out using reagent means which comprises, as its labeled constituent, a conjugate formed of a specific binding substance coupled to the reactant. The reactant advantageously is an enzymatic reactant such as an enzyme substrate or coenzyme. The activity of the conjugated reactant as a constituent of a predetermined reaction system is utilized as means for monitoring the extent of binding of the labeled constituent in conventional heterogeneous specific binding assay schemes. The presence of a ligand in a liquid medium may be determined following conventional competitive binding manipulative techniques. After the necessary separation of the bound-and free-phases resulting in the specific binding reaction system, the extent of binding of the labeled constituent is determined by contacting either phase with the necessary materials to form the predetermined monitoring reaction system in which the labeling substance is active and assessing reactant activity therein.

  一种改进的异质性特异性结合测定方法，其中使用具有反应活性的物质，即反应物，作为标记物质来检测液体介质中的配体。该方法使用试剂手段进行，其中包含一种由特异性结合物质耦合到反应物质形成的共轭物质作为其标记成分。反应物质优选为酶反应物质，例如酶底物或辅酶。共轭反应物的活性作为预定反应系统成分的手段被利用来监测传统的异质性特异性结合测定方案中标记成分的结合程度。可以通过传统的竞争性结合操作技术来确定液体介质中配体的存在。在特异性结合反应系统中必要的结合和自由相分离之后，通过与必要的材料接触来形成预定的监测反应系统，其中标记物质是活性的，并评估其中的反应活性，以确定标记成分的结合程度。
• Heterogenous specific binding assay employing an enzyme substrate as
  申请人：Miles Laboratories, Inc.

  公开号：US04492751A1

  公开（公告）日：1985-01-08

  An improved heterogenous specific binding assay method which employs a substance having reactant activity, i.e., a reactant, as a labeling substance in the detection of a ligand in a liquid medium. The method is carried out using reagent means which comprises, as its labeled constituent, a conjugate formed of a specific binding substance coupled to the reactant. The reactant advantageously is an enzymatic reactant such as an enzyme substrate or coenzyme. The activity of the conjugated reactant as a constituent of a predetermined reaction system is utilized as means for monitoring the extent of binding of the labeled constituent in conventional heterogenous specific binding assay schemes. The presence of a ligand in a liquid medium may be determined following conventional competitive binding manipulative techniques. After the necessary separation of the bound- and free-phases resulting in the specific binding reaction system, the extent of binding of the labeled constituent is determined by contacting either phase with the necessary materials to form the predetermined monitoring reaction system in which the labeling substance is active and assessing reactant activity therein.

  一种改进的异质性特异性结合测定方法，其中在液体介质中检测配体时，使用具有反应活性的物质作为标记物质，即反应物。该方法使用试剂手段进行，其中作为其标记的成分的共轭物是由特异性结合物质耦合到反应物上形成的。反应物优选为酶反应物，例如酶底物或辅酶。共轭反应物的活性作为预定反应系统的成分被利用作为常规异质性特异性结合测定方案中标记成分结合程度的监测手段。可以通过常规竞争性结合操作技术确定液体介质中配体的存在。在必要的分离结合相和游离相之后，通过与必要材料接触形成预定监测反应系统来确定标记成分的结合程度，在其中标记物质是活性的，并评估其中的反应活性。
• Homogenous specific binding assay reagent system and labeled conjugates
  申请人：Miles Inc.

  公开号：US04791055A1

  公开（公告）日：1988-12-13

  The reactant advantageously is an enzymatic reactant such as an enzyme substrate or coenzyme. The activity of the conjugated reactant as a constituent of a predetermined reaction is affected by reaction between the specific binding substance in the conjugate and a specific binding counterpart thereto. The presence of a ligand in a liquid medium may be determined using competitive or displacement binding or sequential saturation techniques wherein the specific binding substance in the conjugate is the ligand or a specific binding analog thereof, or using a direct binding technique wherein the specific binding substance is a specific binding partner of the ligand. The effect of the specific binding reaction on the activity of the conjugated reactant is related to the presence or amount of the ligand in the liquid medium tested.

  反应物有优势地是一种酶反应物，例如酶底物或辅酶。预定反应的组成部分的共轭反应物的活性受到与共轭物中的特异性结合物和其特异性结合对应物之间的反应的影响。可以使用竞争性或置换结合或顺序饱和技术来确定液体介质中配体的存在，其中共轭物中的特异性结合物是配体或其特异性结合类似物，或者使用直接结合技术，其中特异性结合物是配体的特异性结合伙伴。特异性结合反应对共轭反应物的活性的影响与液体介质中配体的存在或数量有关。