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N6022

CAT: 0931-T6901-09Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T6901-09Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1208315-24-5
Target
GSNOR
Related Pathways
Metabolism
Purity
0.9832
Bioactivity
N6022 (IC50 of 8 nM) is an effective, reversible, and selective S-Nitrosoglutathione reductase (GSNOR) inhibitor.
Smiles
Cc1cc(ccc1-n1c(CCC(O)=O)ccc1-c1ccc(cc1)-n1ccnc1)C(N)=O
Molecular Formula
C24H22N4O3
Molecular Weight
414.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

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