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G protein-coupled receptors (GPCRs)
P2Y receptors
({[({[(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 , CAS No.145783-24-0, Antagonist of P2Y 12 receptor

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({[({[(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 , CAS No.145783-24-0, Antagonist of P2Y 12 receptor

COA

Grade & Purity:

Moligand™

Cas Number: 145783-24-0
PubChem CID: 5311009

In stock

Item Number

R607731

Grouped product items
SKU	Size	Availability	Price	Qty
R607731-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$570.90
R607731-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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P2Y12 receptor Antagonist (16)

Basic Description

Synonyms	2-propylthio-βγ-difluoromethylene ATP \| ARL 66096 \| FPL66096 \| 66096
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of P2Y 12 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Nucleosides, nucleotides, and analogues
  - Class Purine nucleotides
    - Subclass Purine ribonucleotides

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
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. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

P2RY12 Tclin P2Y purinoceptor 12 (1 Activities)

Discover Target: P2RY12

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

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
INCHI	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
InChIKey	ZQXUQOHLHUWLSA-WOUKDFQISA-N
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
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

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical 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 Å²
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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