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Chemical structure of MK-8245 Trifluoroacetate

GC36626

MK-8245 Trifluoroacetate

Also known as 2-[5-[3-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid;2,2,2-trifluoroacetic acid

MK-8245 trifluoroacetate is a liver-targeting inhibitor of stearoyl-CoA desaturase (SCD) with IC50 of 1 nM for human SCD1 and 3 nM for both rat SCD1 and mouse SCD1, with anti-diabetic and anti-dyslipidemic efficacy

ChemicalCAS1415559-41-9MW581.27FormulaC19H17BrF4N6O6
CAS number
1415559-41-9
Molecular weight
581.27
Formula
C19H17BrF4N6O6
Solubility
Soluble in DMSO
InChIKey
LEBPCMXFQYATAK-UHFFFAOYSA-N
Catalogue number
GC36626
Brand
GLPBIO
Computed properties PubChem CID 66577003 · TPSA 157 Ų · H-bond donors 2 · H-bond acceptors 15
TPSA
157 Ų
H-bond donors
2
H-bond acceptors
15
Rotatable bonds
6
Heavy atoms
36

SMILES C1CN(CCC1OC2=C(C=CC(=C2)F)Br)C3=NOC(=C3)C4=NN(N=N4)CC(=O)O.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 66577003), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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