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BAY-8002

CAT: 1568-C13637-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C13637-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
724440-27-1
Target
MCT
Applications
Transmembrane Transporters
Smiles
C1=CC=C (C=C1) S (=O) (=O) C2=CC (=C (C=C2) Cl) C (=O) NC3=CC=CC=C3C (=O) O
Molecular Formula
C20H14ClNO5S
Additionnal Information
BAY-8002 is a novel MCT1 inhibitor and potently suppress bidirectional lactate transport. BAY-8002 significantly increases intratumor lactate levels and transiently modulates pyruvate levels.
Storage Conditions
3 years -20°C powder

Chemical Information

Bay-8002

monocarboxylate transporter 1 inhibitor

CAS Number724440-27-1
PubChem CID992293
IUPAC Name2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid
Molecular FormulaC20H14ClNO5S
Molecular Weight415.8
XLogP4.3
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity671
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25)
InChIKey
CLAUJSRBKSRTGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bay-8002
CAS: 724440-27-1
CID: 992293
Formula: C20H14ClNO5S
MW: 415.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.8
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass415.0281214
Monoisotopic Mass415.0281214
Topological Polar Surface Area109 Ų
Heavy Atom Count28
Formal Charge0
Complexity671
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
BB168136-01BAY 8002
MBS132919BAY-8002
A18611-100BAY-8002 100mg
A18611-10BAY-8002 10mg
A18611-5BAY-8002 5mg
A18611-1BAY-8002 1mg
A18611-25BAY-8002 25mg
A18611-50BAY-8002 50mg
A18611-10mM-DBAY-8002 10mM * 1mL in DMSO
sc-65949Factor VIII (GMA-8002)

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