腺苷 3',5'-二磷酸酯; 3',5'-二磷酸腺苷 | 1053-73-2

• 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
• 中文名称: 腺苷 3',5'-二磷酸酯; 3',5'-二磷酸腺苷
• 中文别名: 3',5'-二磷酸腺苷；腺苷3',5'-二磷酸酯;3',5'-二磷酸腺苷
• 英文名称: 3'-phosphoadenosine-5'-phosphate
• 英文别名: adenosine 3',5'-diphosphate；pAp；3',5'-ADP；Adenosine-3'-5'-diphosphate；[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
• CAS: 1053-73-2
• 化学式: C₁₀H₁₅N₅O₁₀P₂
• 分子量: 427.204
• InChiKey: WHTCPDAXWFLDIH-KQYNXXCUSA-N

物化性质

• 物理描述：
  Solid
• 溶解度：
  614.5 mg/mL
• 碰撞截面：
  182.5 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

计算性质

• 辛醇/水分配系数(LogP)：
  -4.6
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  233
• 氢给体数：
  6
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  腺苷 3',5'-二磷酸酯; 3',5'-二磷酸腺苷 生成 (7R,8S,9R,10S)-10-[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol
  参考文献：
  名称：

  Covalent nucleoside adducts of benzo[a]pyrene 7,8-diol 9,10-epoxides: structural reinvestigation and characterization of a novel adenosine adduct on the ribose moiety

  摘要：

  The diastereomeric 7,8-diol 9,10-epoxides metabolically derived from the carcinogenic hydrocarbon benzo[alpha]pyrene react with the purine bases in nucleic acids to alkylate their exocyclic amino groups. The major adducts formed from polyguanylic acid and the enantiomers of diol epoxide-1 (the diastereomer in which the benzylic 7-hydroxyl group and the epoxide oxygen are cis) have been shown to result from cis opening of the epoxide by the N-2 amino group of guanine, rather than trans opening as had been previously reported. Four adducts resulting from alkylation of the exocyclic N-6 amino group of adenosine 5'-monophosphate by racemic diol epoxide-1 have been prepared and characterized. In addition, a major adduct formed from adenosine 5'-monophosphate and (-)-(7R,8S)-diol (9R,10S)-epoxide-1, but not from its (+) enantiomer, has been identified as a product of alkylation of the 2'-hydroxyl group of the sugar. We also report a quantitative reevaluation of the extent and distribution of covalent adduct formation from calf thymus DNA and both diastereomeric benzo[alpha]pyrene diol epoxides, as well as the identification of the principal DNA adducts formed from the enantiomers of diol epoxide-1. Tentative identification of several new minor adducts formed upon reaction of diol epoxide-2 with denatured DNA is described. The present results provide additional support for our previously proposed correlation between the signs of the circular dichroism bands of these adducts and their absolute configurations at the N-substituted benzylic carbon atom.

  DOI：

  10.1021/jo00001a007
• 作为产物：
  描述：

  [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate 生成 腺苷 3',5'-二磷酸酯; 3',5'-二磷酸腺苷
  参考文献：
  名称：

  LESIAK, KRYSTYNA;DE, CLERCQ ERIK;TORRENCE, PAUL F., NUCLEOSIDES AND NUCLEOTIDES, 8,(1989) N, C. 1387-1398

  摘要：

  DOI：
• 作为试剂：
  描述：

  cypridina luciferyl sulfate 在 sulfotransferase 、 溶剂黄146 、 聚甘氨酸 、 腺苷 3',5'-二磷酸酯; 3',5'-二磷酸腺苷 、 sodium hydroxide 作用下， 以 aq. buffer 为溶剂， 生成 Cypridina luciferin
  参考文献：
  名称：

  从蓝藻荧光素高效转化为蓝藻荧光素，再加上乙酸的酶促硫酸化。

  摘要：

  在Cypridina（Vargula）hilgendorfii中， Cypridina luciferin是通过磺基转移酶与3'，5'-二磷酸腺苷（PAP）的磺基转移酶从Cypridina luciferyl sulphate转化而来的，用于Cypridina luciferase的发光反应。我们发现C. hilgendorfii的粗提物的发光活性加入乙酸显着地刺激了该酶。可以通过由磺基转移酶催化的3'-磷酸腺苷5'-磷酸硫酸盐（PAPS）高效供应PAP来解释这种刺激。因此，乙酸起PAPS的硫酸盐受体的作用，随后形成乙酰硫酸盐和PAP。使用质谱法鉴定乙酰硫酸盐的结构，并在水溶液中自发分解为乙酸和游离硫酸根离子。从蓝藻荧光素到蓝藻荧光素的这种酶促转化可以通过磺基转移酶与乙酸和PAPS偶联。

  DOI：

  10.1016/j.bbrc.2020.05.167

文献信息

• [EN] DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS<br/>[FR] DIHYDROPYRIDAZINONES SUBSTITUÉES PAR DES PHÉNYLURÉES
  申请人：BAYER PHARMA AG

  公开号：WO2018086703A1

  公开（公告）日：2018-05-17

  Compounds of formula (I) which are nicotinamide phosphoribosyltransferase (NAMPT) inhibitors and their use for the treatment of hyperproloferative diseases and/or disorders responsive to induction of cell death.

  式（I）的化合物是烟酰胺磷酸核糖转移酶（NAMPT）抑制剂，可用于治疗对诱导细胞死亡敏感的增生性疾病和/或紊乱。
• [EN] 4-AMINO SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS AS PDE4 INHIBITORS<br/>[FR] COMPOSÉS PYRIMIDINES CONDENSÉS 4-AMINO SUBSTITUÉS EN TANT QU'INHIBITEURS DE PDE4
  申请人：GRUENENTHAL GMBH

  公开号：WO2014117947A1

  公开（公告）日：2014-08-07

  The invention relates to novel substituted condensed pyrimidine compounds of general formula (I) in which the chemical groupings, substituents and indices are as defined in the description, and to their use as medicaments, in particular as medicaments for the treatment of conditions and diseases that can be treated by inhibition of the PDE4 enzyme.

  这项发明涉及一种新型的取代的紧凑嘧啶化合物，其一般式为（I），其中化学基团、取代基和指数如描述中所定义，并且涉及它们作为药物的用途，特别是作为用于通过抑制PDE4酶治疗可治疗的疾病和病症的药物。
• [EN] SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION<br/>[FR] AMINOQUINOLONES SUBSTITUÉES EN TANT QU'INHIBITEURS DE DGKALPHA POUR ACTIVATION IMMUNITAIRE
  申请人：BAYER AG

  公开号：WO2021105117A1

  公开（公告）日：2021-06-03

  The present invention covers aminoquinolone compounds of general formula (I), in which R1, R2, R3, R4, R5, R6, R7, R8 and n are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment and/or prophylaxis of diseases, in particular of diacylglycerol kinase alpha regulated disorders, as a sole agent or in combination with other active ingredients.

  本发明涵盖了一般式(I)的氨基喹啉酮化合物，其中R1、R2、R3、R4、R5、R6、R7、R8和n如本文所定义，制备所述化合物的方法，用于制备所述化合物的中间化合物，包括所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗和/或预防疾病的药物组合物，特别是二酰基甘油激酶α调节性疾病，作为唯一药剂或与其他活性成分组合使用。
• [EN] SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3<br/>[FR] INHIBITION PAR PETITES MOLÉCULES DE LA SULFOTRANSFÉRASE SULT1A3
  申请人：UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION

  公开号：WO2020123482A1

  公开（公告）日：2020-06-18

  Provided herein are small molecule compounds and methods inhibiting human sulfotransferase 1A3 (SULT1A3) using these small molecule compounds. Methods of manufacturing and treatment are also disclosed.

  本文提供了一些小分子化合物以及使用这些小分子化合物抑制人类磺酸转移酶1A3（SULT1A3）的方法。同时还披露了相关的制备和治疗方法。
• Novel P2Y12 receptor antagonists
  申请人：Rheinische Friedrich-Wilhelms-Universität Bonn

  公开号：EP1967513A1

  公开（公告）日：2008-09-10

  The present invention relates to compounds of Formula I, in which A and B are independently CH2, O, S, NH, C=O, C=NH, C=S or C=N-OH; X is NH, O, S, C=O or CH2 and R1-R5 are as defined in claim 1, which are P2Y12 receptor antagonists and useful for treating, alleviating and/or preventing diseases and disorders related to P2Y12 receptor function as well as pharmaceutical compositions comprising such compounds and methods for preparing such compounds. The present invention is further directed to the use of these compounds, alone or in combination with other therapeutic agents, for the alleviation, prevention and/or treatment of diseases and disorders, especially the use as antithrombotic agents for inhibiting platelet aggregation.

  本发明涉及化合物的I式，其中A和B分别为CH2、O、S、NH、C=O、C=NH、C=S或C=N-OH；X为NH、O、S、C=O或CH2，R1-R5如权利要求书中所定义，这些化合物是P2Y12受体拮抗剂，可用于治疗、缓解和/或预防与P2Y12受体功能相关的疾病和紊乱，以及包含这些化合物的药物组合物和制备这些化合物的方法。本发明进一步涉及使用这些化合物，单独或与其他治疗剂联合使用，用于缓解、预防和/或治疗疾病和紊乱，特别是作为抗血栓药物用于抑制血小板聚集。