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2603528-97-6

2603528-97-6 Structure

2603528-97-6 Structure
IdentificationBack Directory
[Name]

2-Pyrrolidinecarboxamide, 1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-N-methyl-N-(3-methylphenyl)-, (2S,3R)-
[CAS]

2603528-97-6
[Synonyms]

ART558
(2S,3R)-1-(3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)-3-hydroxy-N-methyl-N-(m-tolyl)pyrrolidine-2-carboxamide
2-Pyrrolidinecarboxamide, 1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-N-methyl-N-(3-methylphenyl)-, (2S,3R)-
[Molecular Formula]

C21H21F3N4O2
[MDL Number]

MFCD34474085
[MOL File]

2603528-97-6.mol
[Molecular Weight]

418.41
Chemical PropertiesBack Directory
[Boiling point ]

621.9±55.0 °C(Predicted)
[density ]

1.38±0.1 g/cm3(Predicted)
[solubility ]

DMSO: Soluble: =10 mg/ml
Ethanol: Sparingly Soluble: 1-10 mg/ml
[form ]

Solid
[pka]

13.58±0.40(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard InformationBack Directory
[Uses]

ART558 is a nanomolar potent, selective, low molecular weight, allosteric DNA polymerase activity of Polθ inhibitor (IC50=7.9 nM). ART558 can be used for the research of cancer[1].
[References]

[1] Zatreanu D, et al. Polθ inhibitors elicit BRCA-gene synthetic lethality and target PARP inhibitor resistance. Nat Commun. 2021 Jun 17;12(1):3636. DOI:10.1038/s41467-021-23463-8
Spectrum DetailBack Directory
[Spectrum Detail]

2-Pyrrolidinecarboxamide, 1-[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]-3-hydroxy-N-methyl-N-(3-methylphenyl)-, (2S,3R)-(2603528-97-6)1HNMR
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