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N6022

CAS No.:
1208315-24-5
Catalog Number:
AG008TIG
Molecular Formula:
C24H22N4O3
Molecular Weight:
414.4565
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$187
- +
10mg
≥98%
1 week
United States
$283
- +
25mg
≥98%
1 week
United States
$361
- +
100mg
99%
1 week
United States
$1207
- +
Product Description
Catalog Number:
AG008TIG
Chemical Name:
N6022
CAS Number:
1208315-24-5
Molecular Formula:
C24H22N4O3
Molecular Weight:
414.4565
MDL Number:
MFCD22123247
IUPAC Name:
3-[1-(4-carbamoyl-2-methylphenyl)-5-(4-imidazol-1-ylphenyl)pyrrol-2-yl]propanoic acid
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)
InChI Key:
YVPGZQLRPAGKLA-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(n1c1ccc(cc1C)C(=O)N)c1ccc(cc1)n1cncc1
UNII:
80LIU5P95D
Properties
Complexity:
636  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.169g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
414.465g/mol
Monoisotopic Mass:
414.169g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Structure-activity relationship of pyrrole based S-nitrosoglutathione reductase inhibitors: carboxamide modification. Bioorganic & medicinal chemistry letters 20120315
Mechanism of inhibition for N6022, a first-in-class drug targeting S-nitrosoglutathione reductase. Biochemistry 20120313
A nonclinical safety and pharmacokinetic evaluation of N6022: a first-in-class S-nitrosoglutathione reductase inhibitor for the treatment of asthma. Regulatory toxicology and pharmacology : RTP 20120201
Discovery of potent and novel S-nitrosoglutathione reductase inhibitors devoid of cytochrome P450 activities. Bioorganic & medicinal chemistry letters 20111001
Structure-activity relationships of pyrrole based S-nitrosoglutathione reductase inhibitors: pyrrole regioisomers and propionic acid replacement. Bioorganic & medicinal chemistry letters 20110615
Properties