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Tak-715

CAS No.:
303162-79-0
Catalog Number:
AG002ZQ2
Molecular Formula:
C24H21N3OS
Molecular Weight:
399.5080
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$182
- +
10mg
99%
1 week
United States
$240
- +
50mg
99%
1 week
United States
$607
- +
Product Description
Catalog Number:
AG002ZQ2
Chemical Name:
Tak-715
CAS Number:
303162-79-0
Molecular Formula:
C24H21N3OS
Molecular Weight:
399.5080
MDL Number:
MFCD17012805
IUPAC Name:
N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]benzamide
InChI:
InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
InChI Key:
HEKAIDKUDLCBRU-UHFFFAOYSA-N
SMILES:
CCc1nc(c(s1)c1ccnc(c1)NC(=O)c1ccccc1)c1cccc(c1)C
UNII:
WE92U03C5Z
Properties
Complexity:
538  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.141g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
399.512g/mol
Monoisotopic Mass:
399.141g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Literature
Title Journal
The p38alpha mitogen-activated protein kinase as a central nervous system drug discovery target. BMC neuroscience 20080101
Novel inhibitor of p38 MAP kinase as an anti-TNF-alpha drug: discovery of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridyl]benzamide (TAK-715) as a potent and orally active anti-rheumatoid arthritis agent. Journal of medicinal chemistry 20050922
Properties