Home Aminos 6-(5-fluoro-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-ylamino)-2,2-dimethyl-2H-pyrido[3,2-b]

6-(5-fluoro-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-ylamino)-2,2-dimethyl-2H-pyrido[3,2-b]

CAS No.:
841290-80-0
Catalog Number:
AG008GXB
Molecular Formula:
C22H23FN6O5
Molecular Weight:
470.4536
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
95%
In Stock USA
United States
$113
- +
25mg
95%
In Stock USA
United States
$225
- +
50mg
95%
In Stock USA
United States
$375
- +
100mg
95%
In Stock USA
United States
$625
- +
Product Description
Catalog Number:
AG008GXB
Chemical Name:
6-(5-fluoro-2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-ylamino)-2,2-dimethyl-2H-pyrido[3,2-b]
CAS Number:
841290-80-0
Molecular Formula:
C22H23FN6O5
Molecular Weight:
470.4536
MDL Number:
MFCD09970820
IUPAC Name:
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
InChI:
InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
InChI Key:
NHHQJBCNYHBUSI-UHFFFAOYSA-N
SMILES:
COc1cc(Nc2ncc(c(n2)Nc2ccc3c(n2)NC(=O)C(O3)(C)C)F)cc(c1OC)OC
EC Number:
617-533-5
UNII:
RC3A285J2G
Properties
Complexity:
691  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.171g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
470.461g/mol
Monoisotopic Mass:
470.171g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Discovery of GS-9973, a selective and orally efficacious inhibitor of spleen tyrosine kinase. Journal of medicinal chemistry 20140508
Discovery, synthesis, and characterization of an orally bioavailable, brain penetrant inhibitor of mixed lineage kinase 3. Journal of medicinal chemistry 20131024
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Rational design of highly selective spleen tyrosine kinase inhibitors. Journal of medicinal chemistry 20121213
Discovery and development of spleen tyrosine kinase (SYK) inhibitors. Journal of medicinal chemistry 20120426
Comprehensive analysis of kinase inhibitor selectivity. Nature biotechnology 20111030
Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein science : a publication of the Protein Society 20110201
Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry. Chemistry & biology 20101124
Structural insights for design of potent spleen tyrosine kinase inhibitors from crystallographic analysis of three inhibitor complexes. Chemical biology & drug design 20090401
Pharmacophore modeling study based on known spleen tyrosine kinase inhibitors together with virtual screening for identifying novel inhibitors. Bioorganic & medicinal chemistry letters 20090401
Developmental toxicity associated with receptor tyrosine kinase Ret inhibition in reproductive toxicity testing. Birth defects research. Part A, Clinical and molecular teratology 20090201
R406, an orally available spleen tyrosine kinase inhibitor blocks fc receptor signaling and reduces immune complex-mediated inflammation. The Journal of pharmacology and experimental therapeutics 20061201
Properties