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PLX647 dihydrochloride

CAT: 0013-GTR19190090Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190090Size:5 mg
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Description
PLX647 dihydrochloride is a potent, orally active dual inhibitor of FMS (IC50=28 nM) and KIT (IC50=16 nM) kinases with high selectivity across the kinome. It has been utilized in preclinical research to investigate the roles of these kinases in oncology, inflammation, and neurological disease models, both in vitro and in vivo.
CAS Number
1779796-38-1
Field of Research
Signal Transduction
Smiles
Cl.Cl.FC (F) (F) c1ccc (CNc2ccc (Cc3c[nH]c4ncccc34) cn2) cc1
Molecular Formula
C21H19Cl2F3N4
Molecular Weight
455.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PLX 647 dihydrochloride
CAS Number1779796-38-1
PubChem CID78243730
IUPAC Name5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;dihydrochloride
Molecular FormulaC21H19Cl2F3N4
Molecular Weight455.3
Topological Polar Surface Area53.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity493
SMILES
C1=CC2=C(NC=C2CC3=CN=C(C=C3)NCC4=CC=C(C=C4)C(F)(F)F)N=C1.Cl.Cl
InChI
InChI=1S/C21H17F3N4.2ClH/c22-21(23,24)17-6-3-14(4-7-17)11-26-19-8-5-15(12-27-19)10-16-13-28-20-18(16)2-1-9-25-20;;/h1-9,12-13H,10-11H2,(H,25,28)(H,26,27);2*1H
InChIKey
MVMKWLRKACAUTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PLX 647 dihydrochloride
CAS: 1779796-38-1
CID: 78243730
Formula: C21H19Cl2F3N4
MW: 455.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass454.0938865
Monoisotopic Mass454.0938865
Topological Polar Surface Area53.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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