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PLX7922

CAT: 0804-HY-107415-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107415-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PLX7922, a RAF inhibitor, can bind with BRAFV600E. PLX7922 inhibits pERK in BRAFV600E cell lines, and activates pERK in mutant NRAS cell lines[1].
CAS Number
1638772-61-8
UNSPSC
12352005
Target
Raf
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/plx7922.html
Purity
98.68
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=S(NC1=C(F)C(C2=C(C3=CC=NC(N)=N3)SC(C(C)(C)C)=N2)=CC=C1)(N(CC)C)=O
Molecular Formula
C20H25FN6O2S2
Molecular Weight
464.58
References & Citations
[1]Zhang C, et, al. RAF inhibitors that evade paradoxical MAPK pathway activation. Nature. 2015 Oct 22;526 (7574) :583-6.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N'-{3-[5-(2-Aminopyrimidin-4-Yl)-2-Tert-Butyl-1,3-Thiazol-4-Yl]-2-Fluorophenyl}-N-Ethyl-N-Methylsulfuric Diamide
CAS Number1638772-61-8
PubChem CID91971376
IUPAC Name5-(2-aminopyrimidin-4-yl)-2-tert-butyl-4-[3-[[ethyl(methyl)sulfamoyl]amino]-2-fluorophenyl]-1,3-thiazole
Molecular FormulaC20H25FN6O2S2
Molecular Weight464.6
XLogP3.3
Topological Polar Surface Area151
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity701
SMILES
CCN(C)S(=O)(=O)NC1=CC=CC(=C1F)C2=C(SC(=N2)C(C)(C)C)C3=NC(=NC=C3)N
InChI
InChI=1S/C20H25FN6O2S2/c1-6-27(5)31(28,29)26-13-9-7-8-12(15(13)21)16-17(14-10-11-23-19(22)24-14)30-18(25-16)20(2,3)4/h7-11,26H,6H2,1-5H3,(H2,22,23,24)
InChIKey
YBUJMZKTOUBMGW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N'-{3-[5-(2-Aminopyrimidin-4-Yl)-2-Tert-Butyl-1,3-Thiazol-4-Yl]-2-Fluorophenyl}-N-Ethyl-N-Methylsulfuric Diamide
CAS: 1638772-61-8
CID: 91971376
Formula: C20H25FN6O2S2
MW: 464.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.6
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass464.14644457
Monoisotopic Mass464.14644457
Topological Polar Surface Area151 Ų
Heavy Atom Count31
Formal Charge0
Complexity701
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

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