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2088112-70-1

2088112-70-1 Structure

2088112-70-1 Structure
IdentificationBack Directory
[Name]

PF-6808472
[CAS]

2088112-70-1
[Synonyms]

XO44
PF-6808472
[Molecular Formula]

C25H27FN8O3S
[MOL File]

2088112-70-1.mol
[Molecular Weight]

538.6
Chemical PropertiesBack Directory
[density ]

1.452±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMSO: 5mg/mL, clear (warmed)
[form ]

powder
[pka]

11.23±0.46(Predicted)
[color ]

white to beige
[InChIKey]

ZBSPMOBILDLOCV-UHFFFAOYSA-N
[SMILES]

F[S](=O)(=O)c1ccc(cc1)CN2CCN(CC2)c3nc(cc(n3)C(=O)NCC#C)Nc4n[nH]c(c4)C5CC5
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
[RIDADR ]

UN 3265 8 / PGII
[WGK Germany ]

WGK 3
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
Hazard InformationBack Directory
[Uses]

XO44 (PF-6808472) is a broad-spectrum covalent kinase probe. XO44 can bind in CDK2 and CDK1. XO44 also labels CDK4 proteins in cells[1][2].
[Biochem/physiol Actions]

PF-6808472 is a cell permeable covalent probe suitable for click chemistry designated to measure kinase selectivity in intact cells. PF-6808472 contains sulfonyl fluoride group, which react with conserved lysine residue within kinase ATP binding site.
[IC 50]

CDK4; CDK1; CDK2
[References]

[1] Kevin D Freeman-Cook, et al. Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer. J Med Chem. 2021 Jul 8;64(13):9056-9077. DOI:10.1021/acs.jmedchem.1c00159
[2] Guiley KZ, et al. p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition. Science. 2019 Dec 13;366(6471):eaaw2106. DOI:10.1126/science.aaw2106
Spectrum DetailBack Directory
[Spectrum Detail]

PF-6808472(2088112-70-1)1HNMR
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