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BAY-876

CAT: 0957-S8452-02Size: 25 mgDry Ice: YesHazardous: No
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CAT#:0957-S8452-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BAY-876 is a potent and selective GLUT1 inhibitor (IC50=0.002 μM) with a selectivity factor of >100 against GLUT2, GLUT3, and GLUT4.
CAS Number
1799753-84-6
Target
GLUT
Activity
Transmembrane Transporters
Molecular Formula
C24H16F4N6O2
Storage Conditions
2 years -80 in solvent

Chemical Information

Bay-876

a GLUT1 inhibitor; structure in first source

CAS Number1799753-84-6
PubChem CID118191391
IUPAC Name4-N-[1-[(4-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
Molecular FormulaC24H16F4N6O2
Molecular Weight496.4
XLogP3.3
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity870
SMILES
CC1=C(C(=NN1CC2=CC=C(C=C2)C#N)C(F)(F)F)NC(=O)C3=CC(=NC4=C3C=CC(=C4)F)C(=O)N
InChI
InChI=1S/C24H16F4N6O2/c1-12-20(21(24(26,27)28)33-34(12)11-14-4-2-13(10-29)3-5-14)32-23(36)17-9-19(22(30)35)31-18-8-15(25)6-7-16(17)18/h2-9H,11H2,1H3,(H2,30,35)(H,32,36)
InChIKey
BKLJDIJJOOQUFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bay-876
CAS: 1799753-84-6
CID: 118191391
Formula: C24H16F4N6O2
MW: 496.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.4
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass496.12708642
Monoisotopic Mass496.12708642
Topological Polar Surface Area127 Ų
Heavy Atom Count36
Formal Charge0
Complexity870
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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Alternative Products

CatalogName
442164-01BAY-876
6199/5BAY 876

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