G6PD activator AG1 Chemical Properties

Boiling point:

689.8±55.0 °C(Predicted)

Density 

1.244±0.06 g/cm3(Predicted)

storage temp. 

Store at -20°C,unstable in solution, ready to use.

solubility 

DMSO: 20.83 mg/mL (47.49 mM)

form 

Oil

pka

16.93±0.30(Predicted)

color 

Light yellow to yellow

InChI

InChI=1S/C24H30N4S2/c1-3-7-23-21(5-1)19(17-27-23)9-11-25-13-15-29-30-16-14-26-12-10-20-18-28-24-8-4-2-6-22(20)24/h1-8,17-18,25-28H,9-16H2

InChIKey

AJBHTYKMNQDUAA-UHFFFAOYSA-N

SMILES

C(C1=CNC2=CC=CC=C21)CNCCSSCCNCCC1=CNC2=CC=CC=C12

G6PD activator AG1 Usage And Synthesis

Uses

G6PD activator AG1 is a potent and selective glucose-6-phosphate dehydrogenase (G6PD) agonist with an EC50 of 3 μM. G6PD is an oxidoreductase that catalyzes the oxidation of glucose-6-phosphate to 6-phosphogluconolactone and the simultaneous reduction of NAD phosphate (NADP) to reduced NADP (NADPH). G6PD activator AG1 can reduce hemolysis of human erythrocytes[1][2].

Definition

ChEBI: N,N'-[disulfanediyldi(ethane-2,1-diyl)]bis[2-(1H-indol-3-yl)ethan-1-amine] is an organic disulfide composed of two molecules of 2-{[2-(1H-indol-3-yl)ethyl]amino}ethane-1-thiol linked together via a disulfide bond. It is a glucose-6-phosphate dehydrogenase (G6PD) activator which reduces oxidative stress in cells and zebrafish. It is an organic disulfide, a member of indoles and a secondary amino compound.

References

[1] https://patents.google.com/patent/WO2019023264A1/enoq=WO2019023264A1
[2] Kaitlyn Ryan, et al. Current investigations on clinical pharmacology and therapeutics of Glucose-6-phosphate dehydrogenase deficiency. Pharmacol Ther. 2020 Dec 14;222:107788. DOI:10.1016/j.pharmthera.2020.107788