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936500-94-6

936500-94-6 Structure

936500-94-6 Structure
IdentificationBack Directory
[Name]

5-Chloro-N-[[[4-[6-fluoro-1,4-dihydro-7-(methylamino)-2,4-dioxo-3(2H)-quinazolinyl]phenyl]amino]carbonyl]-2-thiophenesulfonamide
[CAS]

936500-94-6
[Synonyms]

elinogrel
PRT 060128
P2Y Receptor,inhibit,PRT 060128,Elinogrel,Inhibitor,PRT-060128
5-Chloro-N-[[[4-[6-fluoro-1,4-dihydro-7-(MethylaMino)-2,4-dioxo-3(2H)-quinazolinyl]phenyl]aMino]carb
5-Chloro-N-[[[4-[6-fluoro-1,4-dihydro-7-(methylamino)-2,4-dioxo-3(2H)-quinazolinyl]phenyl]amino]carbonyl]-2-thiophenesulfonamide
2-Thiophenesulfonamide, 5-chloro-N-[[[4-[6-fluoro-1,4-dihydro-7-(methylamino)-2,4-dioxo-3(2H)-quinazolinyl]phenyl]amino]carbonyl]-
[Molecular Formula]

C20H15ClFN5O5S2
[MDL Number]

MFCD16619373
[MOL File]

936500-94-6.mol
[Molecular Weight]

523.95
Chemical PropertiesBack Directory
[density ]

1.651
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 100 mM
[form ]

A solid
[pka]

4.42±0.10(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Description]

Elinogrel is a reversible antagonist of the platelet purinergic P2Y12 receptor (Ki = 23 nM) that inhibits platelet aggregation in a human platelet-rich plasma (hPRP) assay (IC50 = 2.81 nM). It inhibits thrombosis in a mouse model of vascular injury induced by iron (III) chloride (FeCl3) when administered at a dose of 60 mg/kg.
[Uses]

Elinogrel is a direct acting reversible P2Y12 inhibitor, which shows an antiplatelet effect and platelet reactivity associated with cytochrome P 450 2C19 and 3A5 gene polymorphisms.
[IC 50]

P2Y12 Receptor
[storage]

Store at -20°C
[References]

[1] GERNOT ZECH. Identification of High-Affinity P2Y12 Antagonists Based on a Phenylpyrazole Glutamic Acid Piperazine Backbone[J]. Journal of Medicinal Chemistry, 2012, 55 20: 8615-8629. DOI: 10.1021/jm300771j
[2] HELENA HABERSTOCK-DEBIC. A clopidogrel-insensitive inducible pool of P2Y12 receptors contributes to thrombus formation: inhibition by elinogrel, a direct-acting, reversible P2Y12 antagonist.[J]. ACS Applied Electronic Materials, 2011: 54-61. DOI: 10.1124/jpet.111.184143
Spectrum DetailBack Directory
[Spectrum Detail]

5-Chloro-N-[[[4-[6-fluoro-1,4-dihydro-7-(methylamino)-2,4-dioxo-3(2H)-quinazolinyl]phenyl]amino]carbonyl]-2-thiophenesulfonamide(936500-94-6)1HNMR
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