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· · COA & SDS available for every product · Same-day shipping on in-stock items ({[({[(2R,3S,4R,5R)-5-[6-amino-2-(propylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}difluoromethyl)phosphonic acid - Moligand™ , Antagonist of P2Y 12 receptor, CAS No.145783-24-0, Antagonist of P2Y 12 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. Synonyms
2-propylthio-βγ-difluoromethylene ATP | ARL 66096 | FPL66096 | 66096
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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 Synonyms
2-propylthio-βγ-difluoromethylene ATP | ARL 66096 | FPL66096 | 66096
Specifications & Purity
Moligand™
Mechanism of action
Antagonist of P2Y 12 receptor
Names and Identifiers Canonical Smiles CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(F)F)O)O IUPAC Name ({[({[(2R,3S,4R,5R)-5-[6-amino-2-(propylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}difluoromethyl)phosphonic acid InChIKey ZQXUQOHLHUWLSA-WOUKDFQISA-N INCHI 1S/C14H22F2N5O12P3S/c1-2-3-37-13-19-10(17)7-11(20-13)21(5-18-7)12-9(23)8(22)6(32-12)4-31-36(29,30)33-35(27,28)14(15,16)34(24,25)26/h5-6,8-9,12,22-23H,2-4H2,1H3,(H,27,28)(H,29,30)(H2,17,19,20)(H2,24,25,26)/t6-,8-,9-,12-/m1/s1 Isomeric SMILES CCCSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)O)O)O)O)N PubChem CID 5311009
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 Class Purine nucleotides Subclass Purine ribonucleotides Intermediate Tree Nodes Not available Direct Parent Purine ribonucleoside monophosphates Alternative Parents Pentose phosphates Glycosylamines 6-aminopurines Monosaccharide phosphates Bisphosphonates Alkylarylthioethers Aminopyrimidines and derivatives Monoalkyl phosphates Imidolactams N-substituted imidazoles Oxolanes Heteroaromatic compounds Organic phosphonic acids Secondary alcohols 1,2-diols Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Organophosphorus compounds Alkyl fluorides Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - N-glycosyl compound - Glycosyl compound - Pentose monosaccharide - Monosaccharide phosphate - 6-aminopurine - Bisphosphonate - Purine - Imidazopyrimidine - Aryl thioether - Aminopyrimidine - Alkylarylthioether - Monoalkyl phosphate - Pyrimidine - Imidolactam - Organic phosphoric acid derivative - Phosphoric acid ester - Monosaccharide - N-substituted imidazole - Alkyl phosphate - Azole - Organophosphonic acid derivative - Heteroaromatic compound - Oxolane - Organophosphonic acid - Imidazole - Secondary alcohol - 1,2-diol - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organosulfur compound - Primary amine - Alkyl halide - Alkyl fluoride - Alcohol - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organophosphorus compound - Organohalogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. 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.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 615.300 g/mol XLogP3 -3.300 Hydrogen Bond Donor Count 7 Hydrogen Bond Acceptor Count 19 Rotatable Bond Count 11 Exact Mass 615.017 Da Monoisotopic Mass 615.017 Da Topological Polar Surface Area 295.000 Ų Heavy Atom Count 37 Formal Charge 0 Complexity 969.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 4 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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