ChemicalBook--->CAS DataBase List--->421581-52-4

421581-52-4

421581-52-4 Structure

421581-52-4 Structure
IdentificationBack Directory
[Name]

G6PD activator AG1
[CAS]

421581-52-4
[Synonyms]

G6PD activator AG1
G-6PD activator AG1,G6PD activator AG1
[Molecular Formula]

C24H30N4S2
[MOL File]

421581-52-4.mol
[Molecular Weight]

438.65
Chemical PropertiesBack Directory
[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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Hazard InformationBack Directory
[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.
[storage]

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

[1] https://patents.google.com/patent/WO2019023264A1/en?oq=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
Spectrum DetailBack Directory
[Spectrum Detail]

G6PD activator AG1(421581-52-4)1HNMR
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