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BAY-252

CAT: 0804-HY-148242A-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148242A-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BAY-252 is a potent branched-chain amino acid transaminases 1 (BCAT1) and BCAT2 inhibitor with IC50s of 2 μM and 2 μM, respectively. BAY-069 also can be used as a chemical probe. BAY-069 can be used for the research of cancer[1].
CAS Number
2639638-67-6
UNSPSC
12352005
Target
Fluorescent Dye
Type
Reference compound
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/bay-252.html
Concentration
10mM
Purity
99.83
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(C=CC=C1)=C1OC2=C(Cl)C3=C(C=CC=C3)C(N4C(NC(C(F)(F)F)=CC4=O)=O)=C2
Molecular Formula
C22H14ClF3N2O3
Molecular Weight
446.81
References & Citations
[1]BCAT team. Dual BCAT1/2 Probe BAY-069. June, 2th 2020.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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