ChemicalBook--->CAS DataBase List--->1289620-49-0

1289620-49-0

1289620-49-0 Structure

1289620-49-0 Structure
IdentificationBack Directory
[Name]

LpxC inhibitor 1a
[CAS]

1289620-49-0
[Synonyms]

PF-04753299
LpxC inhibitor 1a
PF-04753299 >=98%
[1,1'-Biphenyl]-4-butanamide, N-hydroxy-α-methyl-α-(methylsulfonyl)-, (αR)-
[Molecular Formula]

C18H21NO4S
[MDL Number]

MFCD22683864
[MOL File]

1289620-49-0.mol
[Molecular Weight]

347.43
Chemical PropertiesBack Directory
[density ]

1.249±0.06 g/cm3(Predicted)
[storage temp. ]

room temp
[solubility ]

DMSO: 34.7mg/mL
[form ]

A solid
[pka]

8.18±0.50(Predicted)
[color ]

White to off-white
[InChI]

1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
[InChIKey]

GDYIQUFNICPYHF-GOSISDBHSA-N
[SMILES]

O=C(NO)[C@@](S(=O)(C)=O)(C)CCC(C=C1)=CC=C1C2=CC=CC=C2
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

PF-04753299 is a potent and selective inhibitor of LpxC (UDP-3-O-(R-3-hydroxymyristol)-N-acetylglucosamine deacetylase) that is effective in a murine of gram-negative bacteria infection model.
[Uses]

PF-04753299 is a potent and selective UDP-3-O-(R-3-hydroxymyristol)-N-acetylglucosamine?deacetylase (LpxC) inhibitor. PF-04753299 is bactericidal for the gonococcal isolates. PF-04753299 inhibits E. coli, P. aeruginosa and K. pneumoniae strains with MIC90 values of 2 μg/ml, 4 μg/ml and 16 μg/ml, respectively. PF-04753299 is used for the study of gram-negative bacteria infection[1].
[References]

[1] Constance M John, et al. Treatment of human challenge and MDR strains of Neisseria gonorrhoeae with LpxC inhibitors. J Antimicrob Chemother. 2018 Aug 1;73(8):2064-2071. DOI:10.1093/jac/dky151
Spectrum DetailBack Directory
[Spectrum Detail]

LpxC inhibitor 1a(1289620-49-0)1HNMR
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