Home Aminos N-(3-(5-Chloro-2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4-yloxy)phenyl)acrylamide

N-(3-(5-Chloro-2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4-yloxy)phenyl)acrylamide

CAS No.:
1213269-23-8
Catalog Number:
AG00819Z
Molecular Formula:
C25H27ClN6O3
Molecular Weight:
494.9733
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$85
- +
10mg
98%(HPLC)
In Stock USA
United States
$136
- +
50mg
98%(HPLC)
In Stock USA
United States
$353
- +
100mg
98%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG00819Z
Chemical Name:
N-(3-(5-Chloro-2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4-yloxy)phenyl)acrylamide
CAS Number:
1213269-23-8
Molecular Formula:
C25H27ClN6O3
Molecular Weight:
494.9733
MDL Number:
MFCD16621244
IUPAC Name:
N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
InChI:
InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
InChI Key:
ITTRLTNMFYIYPA-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1cccc(c1)Oc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCN(CC1)C
UNII:
6BQ432Z61M
Properties
Complexity:
694  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.183g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
494.98g/mol
Monoisotopic Mass:
494.183g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Combined therapy with mutant-selective EGFR inhibitor and Met kinase inhibitor for overcoming erlotinib resistance in EGFR-mutant lung cancer. Molecular cancer therapeutics 20121001
Irreversible protein kinase inhibitors: balancing the benefits and risks. Journal of medicinal chemistry 20120726
NF-κB signaling is activated and confers resistance to apoptosis in three-dimensionally cultured EGFR-mutant lung adenocarcinoma cells. Biochemical and biophysical research communications 20120713
Paracrine receptor activation by microenvironment triggers bypass survival signals and ALK inhibitor resistance in EML4-ALK lung cancer cells. Clinical cancer research : an official journal of the American Association for Cancer Research 20120701
Design, synthesis, and biological evaluation of novel conformationally constrained inhibitors targeting epidermal growth factor receptor threonine⁷⁹⁰ → methionine⁷⁹⁰ mutant. Journal of medicinal chemistry 20120322
WZ4002, a third-generation EGFR inhibitor, can overcome anoikis resistance in EGFR-mutant lung adenocarcinomas more efficiently than Src inhibitors. Laboratory investigation; a journal of technical methods and pathology 20120301
Novel mutant-selective EGFR kinase inhibitors against EGFR T790M. Nature 20091224
Properties