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PLX7904

CAT: 0957-S7964-02Size: 25 mgDry Ice: YesHazardous: No
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CAT#:0957-S7964-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PLX7904, also known as PB04, is a potent and selective paradox-breaker RAF inhibitor. It is able to efficiently inhibit activation of ERK1/2 in mutant BRAF melanoma cells but does not hyperactivate ERK1/2 in mutant RAS-expressing cells.
CAS Number
1393465-84-3
Synonyms
PB04
Target
Raf
Activity
MAPK
Molecular Formula
C24H22F2N6O3S
Storage Conditions
2 years -80 in solvent

Chemical Information

5-(2-cyclopropylpyrimidin-5-yl)-3-(3-((ethyl(methyl)sulfamoyl)amino)-2,6-difluorobenzoyl)-1H-pyrrolo(2,3-b)pyridine
CAS Number1393465-84-3
PubChem CID90116945
IUPAC Name5-(2-cyclopropylpyrimidin-5-yl)-3-[3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine
Molecular FormulaC24H22F2N6O3S
Molecular Weight512.5
XLogP2.6
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity895
SMILES
CCN(C)S(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CN=C(N=C4)C5CC5)F
InChI
InChI=1S/C24H22F2N6O3S/c1-3-32(2)36(34,35)31-19-7-6-18(25)20(21(19)26)22(33)17-12-30-24-16(17)8-14(9-29-24)15-10-27-23(28-11-15)13-4-5-13/h6-13,31H,3-5H2,1-2H3,(H,29,30)
InChIKey
DKNZQPXIIHLUHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2-cyclopropylpyrimidin-5-yl)-3-(3-((ethyl(methyl)sulfamoyl)amino)-2,6-difluorobenzoyl)-1H-pyrrolo(2,3-b)pyridine
CAS: 1393465-84-3
CID: 90116945
Formula: C24H22F2N6O3S
MW: 512.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.5
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass512.14421608
Monoisotopic Mass512.14421608
Topological Polar Surface Area129 Ų
Heavy Atom Count36
Formal Charge0
Complexity895
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
B6177-100PLX7904
A15855-100PLX7904 100mg
A15855-50PLX7904 50mg
A15855-25PLX7904 25mg
A15855-5PLX7904 5mg
A15855-10PLX7904 10mg
A15855-10mM-DPLX7904 10mM * 1mL in DMSO

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