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BLU9931

CAT: 0127-BUP09852-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP09852-04Size:25 mg
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CAS Number
1538604-68-0
Purity
=95%
Smiles
COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1

Chemical Information

Blu-9931

FGFR4 Inhibitor BLU 9931 is an orally bioavailable, selective inhibitor of human fibroblast growth factor receptor 4 (FGFR4), with potential antineoplastic activity. Upon oral administration, FGFR4 antagonist BLU 9931 specifically and irreversibly binds to the cysteine residue at position 552 (Cys 552) that is within the active site of FGFR4. This blocks FGFR4 autophosphorylation and activation of receptor tyrosine kinase activity that would normally occur after binding to its ligand, fibroblast growth factor 19 (FGF19), which both inhibits FGFR4-mediated signaling and leads to an inhibition of tumor cell proliferation in FGF19- and FGFR4-overexpressing cells. FGFR4, a receptor tyrosine kinase, is involved in angiogenesis and in the proliferation, differentiation, and survival of tumor cells. FGFR4 expression is associated with poor prognosis. FGF19 is overexpressed by certain tumor cell types.

CAS Number1538604-68-0
PubChem CID72710839
IUPAC NameN-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-3-methylphenyl]prop-2-enamide
Molecular FormulaC26H22Cl2N4O3
Molecular Weight509.4
XLogP6.4
Topological Polar Surface Area85.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity715
SMILES
CC1=C(C(=CC=C1)NC(=O)C=C)NC2=NC=C3C=C(C=CC3=N2)C4=C(C(=CC(=C4Cl)OC)OC)Cl
InChI
InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32)
InChIKey
TXEBNKKOLVBTFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Blu-9931
CAS: 1538604-68-0
CID: 72710839
Formula: C26H22Cl2N4O3
MW: 509.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.4
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass508.1068960
Monoisotopic Mass508.1068960
Topological Polar Surface Area85.4 Ų
Heavy Atom Count35
Formal Charge0
Complexity715
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19173854-01BLU9931
A15534-25BLU9931 25mg
A15534-2BLU9931 2mg
A15534-100BLU9931 100mg
A15534-5BLU9931 5mg
A15534-50BLU9931 50mg
A15534-10BLU9931 10mg

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