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Grapiprant

CAS No.:
415903-37-6
Catalog Number:
AG00C6L9
Molecular Formula:
C26H29N5O3S
Molecular Weight:
491.6052
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$210
- +
10mg
99%
1 week
United States
$307
- +
25mg
99%
1 week
United States
$543
- +
50mg
99%
1 week
United States
$821
- +
Product Description
Catalog Number:
AG00C6L9
Chemical Name:
Grapiprant
CAS Number:
415903-37-6
Molecular Formula:
C26H29N5O3S
Molecular Weight:
491.6052
MDL Number:
MFCD16628076
IUPAC Name:
1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
InChI:
InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
InChI Key:
HZVLFTCYCLXTGV-UHFFFAOYSA-N
SMILES:
CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C
UNII:
J9F5ZPH7NB
Properties
Complexity:
802  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.199g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
491.61g/mol
Monoisotopic Mass:
491.199g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
CJ-023,423, a novel, potent and selective prostaglandin EP4 receptor antagonist with antihyperalgesic properties. The Journal of pharmacology and experimental therapeutics 20070801
Properties