Pantothenate Kinase Inhibitor

Pantothenate Kinase Inhibitor (PANKi) is a reversible inhibitor of pantothenate kinase (PanK, IC50s = 70, 92, and 25 nM for PanK1beta, PanK2, and PanK3, respectively), the rate-limiting enzyme in the synthesis of coenzyme A (CoA, Cay-16147, Cay-21499, Cay-21722). It binds to the ATP-PanK3 complex with an apparent binding constant of 300 nM and exhibits mixed-type inhibition with respect to ATP and pantothenate. PANKi inhibits CoA biosynthesis in C3A cells (IC50 = 0.9 µM) with no effect on cell viability when used at concentrations up to 8 µM. PANKi (5 µM) synergizes with BSO to induce ferroptosis in PANC-1 cells and sensitizes the cells to imidazole ketone erastin-induced ferroptosis.Formal Name: 2,4-dimethyl-N-[3-(methylthio)phenyl]-pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine-3-propanamide. CAS Number: 902614-04-4. Synonyms: PANKi, PanK Inhibitor. Molecular Formula: C21H21N5OS. Formula Weight: 391.5. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 1 mg/ml, DMSO: 1 mg/ml, DMSO:PBS (pH 7.2) (1:4): 0.25 mg/ml. lambdamax: 233, 282 nm. SMILES: CC1=C(CCC(NC2=CC=CC(SC)=C2)=O)C(C)=NC3=C(C=CC=N4)C4=NN31. InChi Code: InChI=1S/C21H21N5OS/c1-13-17(9-10-19(27)24-15-6-4-7-16(12-15)28-3)14(2)26-21(23-13)18-8-5-11-22-20(18)25-26/h4-8,11-12H,9-10H2,1-3H3,(H,24,27). InChi Key: UNCZUEUPSJKHGB-UHFFFAOYSA-N.