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TAK-593

CAS No.:
1005780-62-0
Catalog Number:
AG008TJS
Molecular Formula:
C23H23N7O3
Molecular Weight:
445.4738
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$307
- +
10mg
99%
1 week
United States
$473
- +
50mg
99%
1 week
United States
$1357
- +
100mg
99%
1 week
United States
$2057
- +
Product Description
Catalog Number:
AG008TJS
Chemical Name:
TAK-593
CAS Number:
1005780-62-0
Molecular Formula:
C23H23N7O3
Molecular Weight:
445.4738
MDL Number:
MFCD23160045
IUPAC Name:
N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
InChI:
InChI=1S/C23H23N7O3/c1-13-4-7-16(11-17(13)24-23(32)18-10-14(2)27-29(18)3)33-21-9-8-20-25-19(12-30(20)28-21)26-22(31)15-5-6-15/h4,7-12,15H,5-6H2,1-3H3,(H,24,32)(H,26,31)
InChI Key:
DZFZXPPHBWCXPQ-UHFFFAOYSA-N
SMILES:
Cc1cc(n(n1)C)C(=O)Nc1cc(ccc1C)Oc1ccc2n(n1)cc(n2)NC(=O)C1CC1
UNII:
H3I42X8XX7
Properties
Complexity:
735  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.186g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
445.483g/mol
Monoisotopic Mass:
445.186g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Vascular endothelial growth factor (VEGF) receptors: drugs and new inhibitors. Journal of medicinal chemistry 20121227
Biochemical characterization of TAK-593, a novel VEGFR/PDGFR inhibitor with a two-step slow binding mechanism. Biochemistry 20110208
Properties