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N6022

CAT: 0013-GTR19164304-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19164304-01Size:1 g
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Description
A potent and reversible S-Nitrosoglutathione reductase (GSNOR) inhibitor with IC50 of 20 nM; reduces bronchoconstriction and pulmonary inflammation in a mouse model of asthma and demonstrates an acceptable safety profile. Asthma Phase 2 Clinical (In Vitro) :N6022 shows concentration-dependent binding to rat plasma proteins. N6022 has more effect on ATP at lower drug concentrations (20 μM) than on GSH. N6022 binds in the GSNO substrate binding pocket like a competitive inhibitor with an IC50 of 8 nM and a Ki of 2.5 nM. N6022 is uncompetitive with cofactors NAD+ and NADH. (In Vivo) :N6022 (50 mg/kg) -treated rats show a slight increase in the incidence of granulomas. In serum, N6022 remains in solution up to 5 mg/mL.
CAS Number
1208315-24-5
Product Name Alternative
N 6022 | N-6022
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 46 mg/mL
Smiles
O=C (O) CCC1=CC=C (C2=CC=C (N3C=CN=C3) C=C2) N1C4=CC=C (C (N) =O) C=C4C
Molecular Formula
C24H22N4O3
Molecular Weight
414.4565
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
1H-Pyrrole-2-propanoic acid, 1-[4- (aminocarbonyl) -2-methylphenyl]-5-[4- (1H-imidazol-1-yl) phenyl]-

Chemical Information

N-6022

N6022 has been used in trials studying the treatment of Asthma and Cystic Fibrosis.

CAS Number1208315-24-5
PubChem CID44623946
IUPAC Name3-[1-(4-carbamoyl-2-methylphenyl)-5-(4-imidazol-1-ylphenyl)pyrrol-2-yl]propanoic acid
Molecular FormulaC24H22N4O3
Molecular Weight414.5
XLogP2.8
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity636
SMILES
CC1=C(C=CC(=C1)C(=O)N)N2C(=CC=C2C3=CC=C(C=C3)N4C=CN=C4)CCC(=O)O
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)
InChIKey
YVPGZQLRPAGKLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-6022
CAS: 1208315-24-5
CID: 44623946
Formula: C24H22N4O3
MW: 414.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass414.16919058
Monoisotopic Mass414.16919058
Topological Polar Surface Area103 Ų
Heavy Atom Count31
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1111-5.1N6022
A13046-10N6022 10mg
A13046-5N6022 5mg
A13046-100N6022 100mg
A13046-50N6022 50mg

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