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Pd173955

CAS No.:
260415-63-2
Catalog Number:
AG002RGX
Molecular Formula:
C21H16Cl2N4OS
Molecular Weight:
443.3489
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$321
- +
10mg
98%
1 week
United States
$523
- +
Product Description
Catalog Number:
AG002RGX
Chemical Name:
Pd173955
CAS Number:
260415-63-2
Molecular Formula:
C21H16Cl2N4OS
Molecular Weight:
443.3489
MDL Number:
MFCD16038305
IUPAC Name:
6-(2,6-dichlorophenyl)-8-methyl-2-(3-methylsulfanylanilino)pyrido[2,3-d]pyrimidin-7-one
InChI:
InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
InChI Key:
VAARYSWULJUGST-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)Nc1ncc2c(n1)n(C)c(=O)c(c2)c1c(Cl)cccc1Cl
Properties
Complexity:
626  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.042g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
443.346g/mol
Monoisotopic Mass:
442.042g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Literature
Title Journal
Discovery, synthesis, and characterization of an orally bioavailable, brain penetrant inhibitor of mixed lineage kinase 3. Journal of medicinal chemistry 20131024
Comprehensive analysis of kinase inhibitor selectivity. Nature biotechnology 20111030
Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry. Chemistry & biology 20101124
New effective inhibitors of the Abelson kinase. Bioorganic & medicinal chemistry 20100901
A bead-based activity screen for small-molecule inhibitors of signal transduction in chronic myelogenous leukemia cells. Molecular cancer therapeutics 20100501
Induced disorder in protein-ligand complexes as a drug-design strategy. Molecular pharmaceutics 20080101
Structural insights into the ATP binding pocket of the anaplastic lymphoma kinase by site-directed mutagenesis, inhibitor binding analysis, and homology modeling. Journal of medicinal chemistry 20060921
Phosphorylation of IkappaB-beta is necessary for neuronal survival. The Journal of biological chemistry 20060120
Inhibition of wild-type and mutant Bcr-Abl by AP23464, a potent ATP-based oncogenic protein kinase inhibitor: implications for CML. Blood 20041015
Direct evidence that Bcr-Abl tyrosine kinase activity disrupts normal synergistic interactions between Kit ligand and cytokines in primary primitive progenitor cells. Molecular cancer research : MCR 20030101
Src activation regulates anoikis in human colon tumor cell lines. Oncogene 20021107
Crystal structures of the kinase domain of c-Abl in complex with the small molecule inhibitors PD173955 and imatinib (STI-571). Cancer research 20020801
Characterization of potent inhibitors of the Bcr-Abl and the c-kit receptor tyrosine kinases. Cancer research 20020801
Properties