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Azm475271

CAS No.:
476159-98-5
Catalog Number:
AG00DB85
Molecular Formula:
C23H27ClN4O3
Molecular Weight:
442.9385
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$203
- +
10mg
99%
1 week
United States
$265
- +
50mg
99%
1 week
United States
$904
- +
Product Description
Catalog Number:
AG00DB85
Chemical Name:
Azm475271
CAS Number:
476159-98-5
Molecular Formula:
C23H27ClN4O3
Molecular Weight:
442.9385
MDL Number:
MFCD19690925
IUPAC Name:
N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
InChI:
InChI=1S/C23H27ClN4O3/c1-28-8-6-15(7-9-28)13-31-22-12-19-17(11-21(22)30-3)23(26-14-25-19)27-20-10-16(29-2)4-5-18(20)24/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H,25,26,27)
InChI Key:
WPOXAFXHRJYEIC-UHFFFAOYSA-N
SMILES:
COc1cc2c(ncnc2cc1OCC1CCN(CC1)C)Nc1cc(OC)ccc1Cl
UNII:
0361Z8214O
Properties
Complexity:
551  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.177g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
442.944g/mol
Monoisotopic Mass:
442.177g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5- (tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, a novel, highly selective, orally available, dual-specific c-Src/Abl kinase inhibitor. Journal of medicinal chemistry 20061102
Discovery of a new class of anilinoquinazoline inhibitors with high affinity and specificity for the tyrosine kinase domain of c-Src. Journal of medicinal chemistry 20040212
Properties