SML3732
BAY-4931
≥98% (HPLC)
Synonym(s):
2-Chloro-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide, BAY 4931, BAY4931
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About This Item
Empirical Formula (Hill Notation):
C22H16ClN3O4
CAS Number:
Molecular Weight:
421.83
UNSPSC Code:
12352200
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
powder
Quality Segment
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 2 mg/mL, clear
storage temp.
2-8°C
SMILES string
O=C(C1=CC([N+]([O-])=O)=CC=C1Cl)NC2=CC=C3OC(C4=CC=C(C=C4)CC)=NC3=C2
InChI
1S/C22H16ClN3O4/c1-2-13-3-5-14(6-4-13)22-25-19-11-15(7-10-20(19)30-22)24-21(27)17-12-16(26(28)29)8-9-18(17)23/h3-12H,2H2,1H3,(H,24,27)
InChI key
WFEBALYYDASKIV-UHFFFAOYSA-N
Biochem/physiol Actions
BAY-4931 is a potent and selective covalent PPARγ inverse agonist (IC50 = 0.17 nM, max inhibition = 94% by cell-based reporter assays) that induces interactions between the PPARγ ligand-binding domain (LBD) and the corepressor NCOR2 (EC50 = 5.8 nM, Emax = 619% by TR-FRET). BAY-4931 exhibits anti-proliferation efficacy against PPARγ-dependent growth in cultures (UM-UC9 IC50 = 3.4 nM, max inhibition = 79%).
Potent and selective covalent PPARγ inverse agonist with anti-proliferation efficacy against PPARγ-dependent growth in cultures.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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