IACS-010759

Key facts

CAS number

1570496-34-2

Purity

>98%

Form

Solid

form

Molecular weight

562.6 Da

Molecular formula

C₂₅H₂₅F₃N₆O₄S

PubChem

86711931

Nature

Synthetic

Solubility

Soluble in DMSO to 75 mM

Biochemical name

5-(5-methyl-1-(3-(4-(methylsulfonyl)piperidin-1-yl)benzyl)-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole

Biological description

A potent and selective Oxidative Phosphorylation Inhibitor (IC₅₀ < 10 nM) with potential antineoplastic activity. IACS-010759 robustly inhibits proliferation and induces apoptosis in models of brain cancer and acute myeloid leukemia (AML) reliant on OXPHOS, likely owing to a combination of energy depletion and reduced aspartate production that leads to impaired nucleotide biosynthesis.

Canonical smiles

CC1=NC(=NN1CC2=CC(=CC=C2)N3CCC(CC3)S(=O)(=O)C)C4=NC(=NO4)C5=CC=C(C=C5)OC(F)(F)F

InChi

InChI=1S/C25H25F3N6O4S/c1-16-29-23(24-30-22(32-38-24)18-6-8-20(9-7-18)37-25(26,27)28)31-34(16)15-17-4-3-5-19(14-17)33-12-10-21(11-13-33)39(2,35)36/h3-9,14,21H,10-13,15H2,1-2H3

InChiKey

HWJWNWZJUYCGKV-UHFFFAOYSA-N

IUPAC Name

5-[5-methyl-1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole