Regorafenib (BAY 73-4506) , ≥99% , 755037-03-7

CAS NO.：755037-03-7

Empirical Formula: C21H15ClF4N4O3

Molecular Weight: 482.82

MDL number: MFCD16038047

EINECS: 815-051-1

PRODUCT Properties

• Melting point: 206.0 to 210.0 °C
• Boiling point: 513.4±50.0 °C(Predicted)
• Density: 1.491±0.06 g/cm3(Predicted)
• storage temp.: Refrigerator
• solubility: DMSO (Slightly), Methanol (Slightly)
• pka: 12.04±0.70(Predicted)
• form: White powder.
• color: Pale Pink to Light Pink
• 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
• SMILES: C1(C(NC)=O)=NC=CC(OC2=CC=C(NC(NC3=CC=C(Cl)C(C(F)(F)F)=C3)=O)C(F)=C2)=C1
• CAS DataBase Reference: 755037-03-7

Description and Uses

Regorafenib is an orally bioavailable multi-kinase inhibitor with anticancer activity. It inhibits RET, C-RAF, VEGFR2, c-Kit, VEGFR1, and PDGFRβ with IC₅₀ values of 1.5, 2.5, 4.2, 7, 13, and 22 nM, respectively. Regorafenib also inhibits B-RAF, VEGFR3, FGFR, and Tie2 (IC₅₀s = 28, 46, 202, and 311 nM, respectivey) as well as other kinases. In vivo, regorafenib (10 mg/kg) reduces tumor size in the MDA-MB-231 breast and 786-O renal cancer mouse xenograft models. It also reduces tumor microvessel area and inhibits tumor growth in a panel of mouse xenograft models. Formulations containing regorafenib have been used in the treatment of advanced gastrointestinal stromal tumors and metastatic colorectal cancer.

It inhibits PDGFR tyrosine kinase with IC50=83nM. It is useful for the treatment of inflammation and as an anti-proliferative agent.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P305+P351+P338
• HS Code: 29242990