Regorafenib

CAT: 0013-GTR19161571-03Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19161571-03Size:5 mg

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Description

A potent multikinase inhibitor that potently inhibits these endothelial cell kinases in biochemical and cellular kinase phosphorylation assays with nanomolar range (IC50=3-200 nM) ; inhibits VEGFR1/2/3, PDGFRβ, FGFR1, KIT, RET and B-RAF etc.; exhibits potent dose-dependent TGI in various preclinical human xenograft models in mice; orally active.Colon Cancer Approved (In Vitro) :Regorafenib (0-10 μM, 96 h) shows anti-proliferation activity in GIST 882, Thyroid TT, MDA-MB-231, HepG2, A375 and SW620 cells.Regorafenib (0-3000 nM, 30 min) inhibits the autophosphorylation of VEGFR2, TIE2 and PDGFR-β, and inhibits FGFR and pERK1/2.Regorafenib causes a concentration-dependent decrease in Hep3B cell growth, with an IC50 of 5 μM. Regorafenib subsequently increases the levels of phospho-c-Jun, a JNK target, but not total c-Jun in Hep3B cells. (In Vivo) :Regorafenib (10 mg/kg, Orally, single dose or daily for 4 days) inhibits tumor vasculature and tumor growth in a rat GS9L glioblastoma model.Regorafenib (0-100 mg/kg, Orally, qd x 9) exhibits antitumorigenic and antiangiogenic effects in the Colo-205, MDA-MB-231 and 786-O model.

CAS Number

755037-03-7

Product Name Alternative

BAY 73-4506 | BAY73-4506

Field of Research

Pharmacology & Drug Discovery

Purity

>98% (HPLC)

Solubility

DMSO: ≥ 260 mg/mL

Smiles

C12=NC (NC3=CC=C (N4CCOCC4) C=C3) =NC (NC5CCCCC5) =C1NC=N2

Molecular Formula

C21H15ClF4N4O3

Molecular Weight

482.8154

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Other Product Names

2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3- (trifluoromethyl) phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-

Chemical Information

Regorafenib

Regorafenib is a pyridinecarboxamide obtained by condensation of 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]pyridine-2-carboxylic acid with methylamine. Used for for the treatment of metastatic colorectal cancer in patients who have previously received chemotherapy, anti-EGFR or anti-VEGF therapy. It has a role as an antineoplastic agent, a tyrosine kinase inhibitor and a hepatotoxic agent. It is a member of phenylureas, a pyridinecarboxamide, an aromatic ether, a member of monochlorobenzenes, a member of (trifluoromethyl)benzenes and a member of monofluorobenzenes.

CAS Number	755037-03-7
PubChem CID	11167602
IUPAC Name	4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
Molecular Formula	C21H15ClF4N4O3
Molecular Weight	482.8
XLogP	4.2
Topological Polar Surface Area	92.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	33
Formal Charge	0
Complexity	686

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

InChI

InChI=1S/C21H15ClF4N4O3/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)

InChIKey

FNHKPVJBJVTLMP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 755037-03-7

CID: 11167602

Formula: C21H15ClF4N4O3

MW: 482.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	482.8
XLogP3	4.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	482.0768807
Monoisotopic Mass	482.0768807
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	686
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
A8236-50	Regorafenib

Regorafenib

Chemical Information

Alternative Products

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