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Chemical structure of MCT4-IN-1

GC63062

MCT4-IN-1

Also known as 5-[2-[5-chloro-2-[(5-ethoxyquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-methoxypyridine-2-carboxylic acid

MCT4-IN-1 is an orally active and selective monocarboxylate transporter 4 (MCT4/SLC16A3) inhibitor with an IC50 of 77 nM and a Ki of 11 nM· MCT4-IN-1 targets to the cytosolic domain of MCT4· MCT4-IN-1 results in lactate efflux inhibition and reduction of cellular viability in MCT4 high expressing cells· MCT4-IN-1 has the potential for MCT4 transporter inhibition research

ChemicalCAS2445185-57-7MW537.97FormulaC26H20ClN3O6S
CAS number
2445185-57-7
Molecular weight
537.97
Formula
C26H20ClN3O6S
InChIKey
FNBUZGRPJLEIMO-UHFFFAOYSA-N
Catalogue number
GC63062
Brand
GLPBIO
Computed properties PubChem CID 150189198 · XLogP 4.5 · TPSA 136 Ų · H-bond donors 2
XLogP
4.5
TPSA
136 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
37

SMILES CCOC1=C2C=CC=NC2=C(C=C1)S(=O)(=O)NC3=C(C=C(C=C3)Cl)C#CC4=CN=C(C=C4OC)C(=O)O

Computed descriptors from PubChem (CID 150189198), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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