ADP | 1172-42-5

• 物质功能分类: 生物化工 - 核苷类药物 - 核苷酸及其类似物
• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: ADP
• 英文别名: adenosine diphosphate disodium salt；ADP*Na2
• CAS: 1172-42-5；2092-65-1；16178-48-6；20398-34-9；71997-33-6；71997-36-9；71997-52-9；71997-55-2
• 化学式: C₁₀H₁₃N₅O₁₀P₂*2Na
• 分子量: 471.168
• InChiKey: NYEHFIIOXORNJT-MCDZGGTQSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -6.01
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  238.26
• 氢给体数：
  4.0
• 氢受体数：
  14.0

安全信息

• TSCA：
  Yes

制备方法与用途

用途 

生化研究

用途 

腺苷5'-二磷酸（ADP）是通过ATP合成酶转化成ATP，从而参与能量储存和核酸代谢的腺嘌呤核苷酸。 ADP通过与ADP受体P2Y1、P2Y12和P2X1相互作用影响血小板活化。当其由 ecto-ADP酶催化为腺苷，血小板活化被腺苷受体抑制。

反应信息

• 作为反应物：
  描述：

  Acridin-9-yl-[3-(1,13-dioxa-4,7,10,16,19,22-hexaaza-cyclotetracos-7-yl)-propyl]-amine; hydrochloride 、 ADP 以 水 、 重水 为溶剂， 生成 adenosine-5'-monophosphate disodium salt 、
  参考文献：
  名称：

  Multiple molecular recognition and catalysis. A multifunctional anion receptor bearing an anion binding site, an intercalating group, and a catalytic site for nucleotide binding and hydrolysis

  摘要：

  DOI：

  10.1021/ja00166a025
• 作为产物：
  描述：

  ATP disodium salt 、 Acridin-9-yl-[3-(1,13-dioxa-4,7,10,16,19,22-hexaaza-cyclotetracos-7-yl)-propyl]-amine; hydrochloride 以 水 、 重水 为溶剂， 生成 、 ADP
  参考文献：
  名称：

  Multiple molecular recognition and catalysis. A multifunctional anion receptor bearing an anion binding site, an intercalating group, and a catalytic site for nucleotide binding and hydrolysis

  摘要：

  DOI：

  10.1021/ja00166a025

文献信息

• A General and Chemoselective Synthesis of Phosphoramidates through Reaction of Silylated Nucleoside Di- and Triphosphates with Silylated Amines Containing Multifunctional Groups
  作者：Jigang Zhu、Hua Fu、Yuyang Jiang、Yufen Zhao

  DOI：10.1021/jo0521403

  日期：2006.2.1

  phosphoramidates has been developed through one-pot chemoselective reaction of nucleoside di- and triphosphates with 3‘-amino-3‘-deoxythymidine, d-glucosamine, and peptides mediated by trimethylsilyl chloride, and the corresponding conjugates via the linkage of phosphate were obtained. The method could be generally applied for the synthesis of phosphoramidates without any preprotection of polyphosphates and amines

  通过二磷酸核苷和三磷酸核苷与3'-氨基-3'-脱氧胸苷，d-葡糖胺和由三甲基甲硅烷基氯介导的肽以及相应的缀合物通过一键连接的一锅化学选择反应，已经开发出了多种氨基甲酸酯的方法。获得了磷酸盐。该方法通常可用于合成氨基磷酸酯而无需对含多官能团的多磷酸盐和胺进行任何预保护。
• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：UNIV OSLO

  公开号：WO2018033719A1

  公开（公告）日：2018-02-22

  The invention provides compounds for use in a method of treating and/or preventing a bacterial infection in a human or non-human mammal, said method comprising administration of said compound in combination with (either simultaneously, separately, or sequentially) a β-lactam antibiotic, wherein said compound has the general formula I: (I) (wherein: Q is a lipophilic, zinc chelating moiety which is selective for Zn2+ ions and which comprises at least one, preferably two or more (e.g 2, 3 or 4), optionally substituted, unsaturated heterocyclic rings, e.g. 5 or 6-membered heterocyclic rings (such rings preferably include at least one heteroatom selected from N, S and O, preferably N); wherein any optional substituents may be selected from C1-6 alkyl, C1-6 alkoxy, halogen, nitro, cyano, amine, and substituted amine; each L, which may be the same or different, is a covalent bond or a linker; each W, which may be the same or different, is a non-peptidic hydrophilic group which comprises one or more hydroxy groups; and x is an integer from 1 to 3) or a stereoisomer, pharmaceutically acceptable salt or prodrug thereof.

  该发明提供了一种化合物，用于治疗和/或预防人类或非人哺乳动物体内的细菌感染，所述方法包括将该化合物与β-内酰胺类抗生素（可以同时、分开或顺序地）结合给药，其中所述化合物具有一般式I：（I）（其中：Q是一个亲脂性、选择性结合Zn2+离子的基团，包括至少一个，最好是两个或更多（例如2、3或4个），可选择地取代的不饱和杂环环，例如5或6元杂环环（这些环最好包括至少一个从N、S和O中选择的杂原子，最好是N）；其中任何可选择的取代基可以选择自C1-6烷基、C1-6烷氧基、卤素、硝基、氰基、胺和取代胺；每个L，可以相同也可以不同，是一个共价键或一个连接基；每个W，可以相同也可以不同，是一个非肽性亲水基团，包括一个或多个羟基；x是1到3之间的整数）或其立体异构体、药学上可接受的盐或前药。
• Efficient Access to Deuterated and Tritiated Nucleobase Pharmaceuticals and Oligonucleotides using Hydrogen‐Isotope Exchange
  作者：Alberto Palazzolo、Sophie Feuillastre、Viktor Pfeifer、Sébastien Garcia‐Argote、Donia Bouzouita、Simon Tricard、Céline Chollet、Elodie Marcon、David‐Alexandre Buisson、Sophie Cholet、François Fenaille、Guy Lippens、Bruno Chaudret、Grégory Pieters

  DOI：10.1002/anie.201813946

  日期：2019.4

  possesses a wide substrate scope and a high solvent tolerability. This novel method facilitates the access to essential diagnostic tools in drug discovery and development: tritiated pharmaceuticals with high specific activities and deuterated oligonucleotides suitable for use as internal standards during LC‐MS quantification.

  描述了一种有效的氢-同位素交换核碱基衍生物的通用方法。在温和的反应条件下，以钌纳米颗粒为催化剂，并以D 2或T 2为同位素源，该反应具有较宽的底物范围和较高的耐溶剂性。这种新颖的方法有助于在药物发现和开发中使用基本的诊断工具：具有高比活性的tri代药物和适合在LC-MS定量过程中用作内部标准品的氘代寡核苷酸。
• Photocaged and Mixed Photocaged Bioreversible‐Protected ATP Derivatives as Tools for the Controlled Release of ATP
  作者：Nils Jeschik、Tobias Schneider、Chris Meier

  DOI：10.1002/ejoc.202001229

  日期：2020.11.22

  For a better understanding of ATP‐depending extra‐ and intracellular processes, a series of new chemical tools for the potential investigation of such processes was developed. We synthesized ATP derivatives with either two photocleavable masks or one photocleavable and one bio‐removable mask. The quantitative release of ATP from these compounds was proven by photolysis and by esterase incubation using

  为了更好地了解依赖ATP的细胞外和细胞内过程，开发了一系列新的化学工具来研究此类过程。我们用两个可光裂解的掩模或一个可光裂解和一个可生物去除的掩模合成了ATP衍生物。从这些化合物中定量释放的ATP已通过光解和使用HPLC监测的酯酶温育进行了证明。
• Specific Supramolecular Interactions between Zn²⁺-Salophen Complexes and Biologically Relevant Anions
  作者：Manoli Cano、Laura Rodríguez、João Carlos Lima、Fernando Pina、Antonella Dalla Cort、Chiara Pasquini、Luca Schiaffino

  DOI：10.1021/ic900557n

  日期：2009.7.6

  the two hosts. 1H NMR studies proved that the adenine aromatic group is involved in the complexation, thus pointing out the role of supramolecular ditopic receptors played by salophen derivatives toward this class of biologically relevant substrates. The lifetime of the photogenerated triplet state of the Zn2+-salophen compounds was measured by nanosecond laser flash photolysis, and the observed changes

  在乙醇中，Zn 2 + -salophen配合物1和2对无机磷酸盐PO 4 3-，P 2 O 7 4-和P 3 O 10 5-以及核苷酸AMP 2-，ADP 3-和ATP 4-的识别为通过不同的光谱技术进行了调查。31 P NMR和质谱表明，两个系列的阴离子都被1和2结合，而吸收和发射研究表明，只有核苷酸会在两个宿主的光谱特性中产生相关变化。1个1 H NMR研究证明，腺嘌呤芳族基团参与络合，因此指出了由Salophen衍生物发挥的超分子双位受体对这类生物相关底物的作用。通过纳秒激光闪光光解法测量了Zn 2 +-氮杂酚化合物的光生三重态的寿命，观察到的随着核苷酸浓度的增加而发生的变化使得还可以鉴定出1：0.5宿主/客体中间体复合物的形成。形成1：1的复合物。