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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items PSB 0788 - Moligand™, ≥98%(HPLC) , Antagonist of A 2B receptor, CAS No.1027513-54-7, Antagonist of A 2B receptor
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC) Synonyms
8-[4-[4-(4-Chlorobenzyl)piperazide-1-sulfonyl)phenyl]]-1-propylxanthine
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Why this grade Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
8-[4-[4-(4-Chlorobenzyl)piperazide-1-sulfonyl)phenyl]]-1-propylxanthine
Especificaciones y pureza
Moligand™, ≥98%(HPLC)
Mecanismos bioquímicos y fisiológicos
Potent and selective adenosine A2Breceptor antagonist (IC50= 3.64 nM at human A2Breceptors). Displays > 100-fold selectivity over hA1, hA2Aand hA3receptors.
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Mecanismo de acción
Antagonist of A 2B receptor
Nombres e identificadores Sonrisas canónicas CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=C(C=C5)Cl IUPAC Name 8-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione InChIKey JQZJACVYMPKVDS-UHFFFAOYSA-N INCHI 1S/C25H27ClN6O4S/c1-2-11-32-24(33)21-23(29-25(32)34)28-22(27-21)18-5-9-20(10-6-18)37(35,36)31-14-12-30(13-15-31)16-17-3-7-19(26)8-4-17/h3-10H,2,11-16H2,1H3,(H,27,28)(H,29,34) Isómeros SMILES CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=C(C=C5)Cl PubChem CID 44186581 Peso molecular 543.04
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Clase Imidazopyrimidines Subclass Purines and purine derivatives Intermediate Tree Nodes Not available Direct Parent Xanthines Alternative Parents Phenylimidazoles 6-oxopurines Benzenesulfonamides Alkaloids and derivatives Benzenesulfonyl compounds Benzylamines Phenylmethylamines Pyrimidones Aralkylamines Chlorobenzenes N-alkylpiperazines Aryl chlorides Organosulfonamides Heteroaromatic compounds Vinylogous amides Sulfonyls Lactams Ureas Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents 2-phenylimidazole - Xanthine - 6-oxopurine - Benzenesulfonamide - Purinone - Benzenesulfonyl group - Alkaloid or derivatives - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - Pyrimidone - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Monocyclic benzene moiety - Aryl chloride - Organosulfonic acid amide - Aryl halide - Benzenoid - Piperazine - Pyrimidine - Imidazole - Azole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Urea - Lactam - Azacycle - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Solvent:DMSO, Max Conc. mg/mL: 54.3, Max Conc. mM: 100 Peso molecular 543.000 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 7 Exact Mass 542.15 Da Monoisotopic Mass 542.15 Da Topological Polar Surface Area 127.000 Ų Heavy Atom Count 37 Formal Charge 0 Complexity 924.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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