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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items MRS 5698 - Moligand™, ≥96%(HPLC) , Agonist of A 3 receptor, CAS No.1377273-00-1, Agonist of A 3 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. ≥96%(HPLC) Synonyms
(1S,2R,3S,4R,5S)-4-[6-[[(3-Chlorophenyl)methyl]amino]-2-[2-(3,4-difluorophenyl)ethynyl]-9H-purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥96%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads 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
(1S, 2R, 3S, 4R, 5S)-4-[6-[[(3-Chlorophenyl)methyl]amino]-2-[2-(3, 4-difluorophenyl)ethynyl]-9H-purin-9-yl]-2, 3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Especificaciones y pureza
Moligand™, ≥96%(HPLC)
Mecanismos bioquímicos y fisiológicos
High affinity and selective A3adenosine receptor agonist (Ki~ 3 nM); displays >1000-fold selectivity over A1and A2Aadenosine receptors. Reverses mechanoallodynia in several neuropathic pain modelsin vivo. Orally bioavailable.
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Mecanismo de acción
Agonist of A 3 receptor
Nombres e identificadores Sonrisas canónicas CNC(=O)C12CC1C(C(C2O)O)N3C=NC4=C(N=C(N=C43)C#CC5=CC(=C(C=C5)F)F)NCC6=CC(=CC=C6)Cl IUPAC Name (1S,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-[2-(3,4-difluorophenyl)ethynyl]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide InChIKey LYLLLJJYBWLGHW-CIZVZKTGSA-N INCHI 1S/C28H23ClF2N6O3/c1-32-27(40)28-11-17(28)22(23(38)24(28)39)37-13-34-21-25(33-12-15-3-2-4-16(29)9-15)35-20(36-26(21)37)8-6-14-5-7-18(30)19(31)10-14/h2-5,7,9-10,13,17,22-24,38-39H,11-12H2,1H3,(H,32,40)(H,33,35,36)/t17-,22-,23+,24+,28+/m1/s1 Isómeros SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=C(N=C43)C#CC5=CC(=C(C=C5)F)F)NCC6=CC(=CC=C6)Cl PubChem CID 57523213 Términos de entrada MeSH 4-(6-((3-chlorobenzyl)amino)-2-((3,4-difluorophenyl)ethynyl)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo(3.1.0)hexane-1-carboxamide;MRS5698 Peso molecular 564.97
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 Nucleosides, nucleotides, and analogues Clase Nucleoside and nucleotide analogues Subclass Cyclopentyl nucleosides Intermediate Tree Nodes 1,3-substituted cyclopentyl nucleosides Direct Parent 1,3-substituted cyclopentyl purine nucleosides Alternative Parents 6-alkylaminopurines Benzylamines Secondary alkylarylamines Chlorobenzenes Fluorobenzenes Aminopyrimidines and derivatives Aryl fluorides Cyclopropanecarboxylic acids and derivatives Aryl chlorides Imidolactams N-substituted imidazoles Heteroaromatic compounds 1,2-diols Secondary alcohols Cyclic alcohols and derivatives Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents 1,3-substituted cyclopentyl purine nucleoside - 6-alkylaminopurine - 6-aminopurine - Imidazopyrimidine - Purine - Benzylamine - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - N-substituted imidazole - Pyrimidine - Imidolactam - Benzenoid - Imidazole - Heteroaromatic compound - Cyclic alcohol - Azole - Secondary carboxylic acid amide - 1,2-diol - Secondary alcohol - Amino acid or derivatives - Carboxamide group - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Amine - Organic oxide - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as 1,3-substituted cyclopentyl purine nucleosides. These are nucleoside analogues with a structure that consists of a cyclobutane that is substituted a the 1-position with a hydroxyl group and at the 3-position with either a purine base. 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: 5.65, Max Conc. mM: 10 Peso molecular 565.000 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 7 Exact Mass 564.149 Da Monoisotopic Mass 564.149 Da Topological Polar Surface Area 125.000 Ų Heavy Atom Count 40 Formal Charge 0 Complexity 1030.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 5 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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