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Sorafenib tosylate

CAT: 1568-C07461-200mgSize: 200 mgDry Ice: YesHazardous: No
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CAT#:1568-C07461-200mgSize:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
475207-59-1
Synonyms
BAY 43-9006 tosylate, NSC-724772 tosylate
Target
PDGFR
Applications
Protein Tyrosine Kinase
Smiles
CC1=CC=C (C=C1) S (=O) (=O) O.CNC (=O) C1=NC=CC (=C1) OC2=CC=C (C=C2) NC (=O) NC3=CC (=C (C=C3) Cl) C (F) (F) F
Molecular Formula
C21H16ClF3N4O3.C7H8O3S
Additionnal Information
Sorafenib tosylate is a multikinase inhibitor of Raf-1 and B-Raf with IC50 of 6 nM and 22 nM in cell-free assays, respectively. Sorafenib Tosylate inhibits VEGFR-2, VEGFR-3, PDGFR-β, Flt-3 and c-KIT with IC50 of 90 nM, 20 nM, 57 nM, 59 nM and 68 nM, respectively. Sorafenib Tosylate induces autophagy and apoptosis and activates ferroptosis with anti-tumor activity.
Storage Conditions
2 years -80 in solvent

Chemical Information

Sorafenib Tosylate

Sorafenib tosylate is an organosulfonate salt. It contains a sorafenib.

CAS Number475207-59-1
PubChem CID406563
IUPAC Name4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-methylbenzenesulfonic acid
Molecular FormulaC28H24ClF3N4O6S
Molecular Weight637.0
Topological Polar Surface Area155
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count43
Formal Charge0
Complexity853
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
InChI
InChI=1S/C21H16ClF3N4O3.C7H8O3S/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3,(H,26,30)(H2,28,29,31);2-5H,1H3,(H,8,9,10)
InChIKey
IVDHYUQIDRJSTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sorafenib Tosylate
CAS: 475207-59-1
CID: 406563
Formula: C28H24ClF3N4O6S
MW: 637.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight637.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass636.1057179
Monoisotopic Mass636.1057179
Topological Polar Surface Area155 Ų
Heavy Atom Count43
Formal Charge0
Complexity853
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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