AP-III-a4 (ENOblock) is the first nonbasal analogue inhibitor of enolase with an IC50 of 0.576 μM.

 

Brand: BCM

 

Target: Glucokinase

 

Signaling Pathways: Metabolism

 

In Vitro: AP-III-a4 induces glucose uptake and inhibits phosphoenolpyruvate carboxykinase (PEPCK) expression in Huh7 hepatocytes and HEK kidney cells. AP-III-a4 induces cell death under hypoxia, and inhibits cancer cell migration and invasion by down-regulation of AKT and Bcl-xL expression in HCT116 cells.

 

In Vivo: AP-III-a4 (10 μM) inhibits cancer cell migration and invasion processes in HCT116-xenotransplanted zebrafish tumor model. In vivo, AP-III-a4 (10 μM) also inhibits adipogenesis and foam cell formation, and causes downregulation of PEPCK expression and induction of glucose uptake.

 

pKa: 15.25±0.46(Predicted)

 

Solubility: Soluble in DMSO; Soluble in Water; Soluble in Ethanol.

 

GHS: GHS07

 

Isomeric SMILES: C1CCC(CC1)CNC2=NC(=NC(=N2)NCC3=CC=C(C=C3)F)NC4=CC=C(C=C4)CC(=O)NCCOCCOCCN  

 

InChIKey: MOVYITHKOHMLHC-UHFFFAOYSA-N  

 

InChI: InChI=1S/C31H43FN8O3/c32-26-10-6-25(7-11-26)22-36-30-38-29(35-21-24-4-2-1-3-5-24)39-31(40-30)37-27-12-8-23(9-13-27)20-28(41)34-15-17-43-19-18-42-16-14-33/h6-13,24H,1-5,14-22,33H2,(H,34,41)(H3,35,36,37,38,39,40)

 

Attribute
[Chem Name]	N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4-(cyclohexylmethylamino)-6-[(4-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
[Synonym]	AP-III-a4; ENOblock
[CAS No.]	1177827-73-4
[MDL No.]	MFCD28009373
[Formula]	C31H43FN8O3
[Molecular]	594.72
[Form]	Powder
[Storage]	Keep in dark place. Sealed in dry, 2-8°C

Goods Tag