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Regorafenib Hydrochloride

CAT: 0013-GTR19165571-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165571-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Regorafenib Hydrochloride (BAY73-4506 hydrochloride) is an orally bioavailable, small-molecule multikinase inhibitor targeting key angiogenic, stromal, and oncogenic receptor tyrosine kinases. It demonstrates potent antitumor activity in preclinical models, supporting its research use in oncology for both in vitro mechanistic studies and in vivo efficacy experiments.
CAS Number
835621-07-3
Product Name Alternative
CRET, BAY73-4506 Hydrochloride, BAY73-4506 hydrochloride, Autophagy, BAY 73-4506, inhibit, Platelet-derived growth factor receptor, PDGFR, Inhibitor, RET, Regorafenib, Regorafenib Hydrochloride, Raf-1, Raf kinases, Raf, VEGFR, Vascular endothelial growth factor receptor
Field of Research
Cardiovascular Research, Cell Biology, Pharmacology & Drug Discovery, Signal Transduction
Purity
99.56% (May vary between batches)
Solubility
DMSO:40 mg/mL (77.03 mM)
Smiles
Cl.CNC (=O) c1cc (Oc2ccc (NC (=O) Nc3ccc (Cl) c (c3) C (F) (F) F) c (F) c2) ccn1
Molecular Formula
C21H16Cl2F4N4O3
Molecular Weight
519.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide hydrochloride
CAS Number835621-07-3
PubChem CID66577009
IUPAC Name4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;hydrochloride
Molecular FormulaC21H16Cl2F4N4O3
Molecular Weight519.3
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity686
SMILES
CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F.Cl
InChI
InChI=1S/C21H15ClF4N4O3.ClH/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26;/h2-10H,1H3,(H,27,31)(H2,29,30,32);1H
InChIKey
ACSWJKPZXNIVMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide hydrochloride
CAS: 835621-07-3
CID: 66577009
Formula: C21H16Cl2F4N4O3
MW: 519.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass518.0535584
Monoisotopic Mass518.0535584
Topological Polar Surface Area92.4 Ų
Heavy Atom Count34
Formal Charge0
Complexity686
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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