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MF498

CAS No.:
915191-42-3
Catalog Number:
AG00GU93
Molecular Formula:
C32H33N3O7S
Molecular Weight:
603.6853
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$133
- +
5mg
≥98%
1 week
United States
$401
- +
10mg
≥98%
1 week
United States
$668
- +
25mg
≥98%
1 week
United States
$1394
- +
Product Description
Catalog Number:
AG00GU93
Chemical Name:
MF498
CAS Number:
915191-42-3
Molecular Formula:
C32H33N3O7S
Molecular Weight:
603.6853
MDL Number:
MFCD17166964
IUPAC Name:
N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide
InChI:
InChI=1S/C32H33N3O7S/c1-5-41-30-23-11-9-15-33-29(23)31(42-6-2)24-18-35(32(37)28(24)30)25-14-13-21(16-20(25)3)19-43(38,39)34-27(36)17-22-10-7-8-12-26(22)40-4/h7-16H,5-6,17-19H2,1-4H3,(H,34,36)
InChI Key:
WVLIUERFVJYBNY-UHFFFAOYSA-N
SMILES:
CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC
UNII:
6K32LCR80R
Properties
Complexity:
1070  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
603.204g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
603.69g/mol
Monoisotopic Mass:
603.204g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
MF498 [N-{[4-(5,9-Diethoxy-6-oxo-6,8-dihydro-7H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylbenzyl]sulfonyl}-2-(2-methoxyphenyl)acetamide], a selective E prostanoid receptor 4 antagonist, relieves joint inflammation and pain in rodent models of rheumatoid and osteoarthritis. The Journal of pharmacology and experimental therapeutics 20080501
Properties