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BAY-252

CAT: 0931-T78148-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T78148-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2639638-67-6
Target
Others
Related Pathways
Others
Bioactivity
BAY-252 is a potent inhibitor of branched-chain amino acid transaminases 1 (BCAT1) and BCAT2, with IC50 of 2 μM for both enzymes. In addition to its inhibitory properties, BAY-252 serves as a chemical probe in cancer research, aiding in the investigation of metabolic pathways involving branched-chain amino acids.
Smiles
O=C1C=C(NC(=O)N1C2=CC(OC=3C=CC=CC3C)=C(Cl)C=4C=CC=CC42)C(F)(F)F
Molecular Formula
C22H14ClF3N2O3
Molecular Weight
446.81
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bay-069
CAS Number2639638-67-6
PubChem CID155555842
IUPAC Name3-[4-chloro-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
Molecular FormulaC22H14ClF3N2O3
Molecular Weight446.8
XLogP5.4
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity744
SMILES
CC1=CC=CC=C1OC2=C(C3=CC=CC=C3C(=C2)N4C(=O)C=C(NC4=O)C(F)(F)F)Cl
InChI
InChI=1S/C22H14ClF3N2O3/c1-12-6-2-5-9-16(12)31-17-10-15(13-7-3-4-8-14(13)20(17)23)28-19(29)11-18(22(24,25)26)27-21(28)30/h2-11H,1H3,(H,27,30)
InChIKey
UNSHMXUHOHBLIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bay-069
CAS: 2639638-67-6
CID: 155555842
Formula: C22H14ClF3N2O3
MW: 446.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.8
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass446.0645045
Monoisotopic Mass446.0645045
Topological Polar Surface Area58.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity744
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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