N6022 is a selective and reversible inhibitor of S-nitrosoglutathione reductase (GSNOR) with an IC50 of 8 nM and Ki of 2.5 nM. Phase 1/2.

 

Brand: BCM

 

Target: GSNOR

 

Signaling Pathways: Metabolism

 

In Vitro: N6022 binds to rat plasma proteins in a concentration-dependent manner. At lower drug concentrations (20 μM), N6022 show more effect on ATP than on GSH. N6022 (IC50 of 8 nM and a Ki of 2.5 nM) binds in the GSNO substrate binding pocket like a competitive inhibitor. N6022 is uncompetitive with cofactors NAD+ and NADH.

 

In Vivo: N6022 treats rats in 50 mg/kg leading to a slight increase in the incidence of granulomas. In serum, N6022 remained in solution is up to 5 mg/mL.

 

Boiling Point: 662.7±55.0 °C(Predicted)

 

pKa: 4.63±0.10(Predicted)

 

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

 

Isomeric SMILES: CC1=C(C=CC(=C1)C(=O)N)N2C(=CC=C2C3=CC=C(C=C3)N4C=CN=C4)CCC(=O)O  

 

InChIKey: YVPGZQLRPAGKLA-UHFFFAOYSA-N  

 

InChI: InChI=1S/C24H22N4O3/c1-16-14-18(24(25)31)4-9-21(16)28-20(8-11-23(29)30)7-10-22(28)17-2-5-19(6-3-17)27-13-12-26-15-27/h2-7,9-10,12-15H,8,11H2,1H3,(H2,25,31)(H,29,30)

 

Attribute
[Chem Name]	3-[1-(4-carbamoyl-2-methylphenyl)-5-(4-imidazol-1-ylphenyl)pyrrol-2-yl]propanoic acid
[Synonym]	N6022
[CAS No.]	1208315-24-5
[MDL No.]	MFCD22123247
[Formula]	C24H22N4O3
[Molecular]	414.46
[Form]	White solid
[Storage]	Sealed in dry, 2-8°C

Goods Tag