Regorafenib monohydrateTyrosine kinase inhibitor CAS# 1019206-88-2 |
- AG-18
Catalog No.:BCC1051
CAS No.:118409-57-7
- DCC-2618
Catalog No.:BCC1520
CAS No.:1225278-16-9
- Imatinib Mesylate (STI571)
Catalog No.:BCC1115
CAS No.:220127-57-1
- Pazopanib (GW-786034)
Catalog No.:BCC1286
CAS No.:444731-52-6
- Regorafenib
Catalog No.:BCC3646
CAS No.:755037-03-7
- TG101209
Catalog No.:BCC2198
CAS No.:936091-14-4
Quality Control & MSDS
3D structure
Package In Stock
Number of papers citing our products
| Cas No. | 1019206-88-2 | SDF | Download SDF |
| PubChem ID | 24768591 | Appearance | Powder |
| Formula | C21H17ClF4N4O4 | M.Wt | 500.83 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Synonyms | BAY 73-4506 monohydrate | ||
| Solubility | DMSO : 50 mg/mL (99.83 mM; Need ultrasonic) H2O : < 0.1 mg/mL (insoluble) | ||
| Chemical Name | 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;hydrate | ||
| 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.O | ||
| Standard InChIKey | ZOPOQLDXFHBOIH-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C21H15ClF4N4O3.H2O/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);1H2 | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
||
| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
||
| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | Regorafenib monohydrate is a multi-target inhibitor for VEGFR1/2/3, PDGFRβ, Kit, RET and Raf-1 with IC50s of 13/4.2/46, 22, 7, 1.5 and 2.5 nM, respectively.In Vitro:Regorafenib potently inhibits VEGFR2 autophosphorylation in NIH-3T3/VEGFR2 cells with an IC50 of 3 nM. In HAoSMCs, regorafenib inhibits PDGFR-β autophosphorylation after stimulation with PDGF-BB, with an IC50 of 90 nM. Regorafenib inhibits the proliferation of VEGF165-stimulated HUVECs, with an IC50 of 3 nM[1]. Regorafenib causes a concentration-dependent decrease in Hep3B cell growth, having 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[3].In Vivo:Regorafenib effectively inhibits growth of the Colo-205 xenografts in the dose range of 10-100 mg/kg reaching a TGI of 75% at day 14 at the 10 mg/kg dose. In the MDA-MB-231 model, regorafenib is highly efficacious at a dose as low as 3 mg/kg, resulting in a significant TGI of 81%, which increases to 93% at doses of 10 and 30 mg/kg, where tumor stasis is reached[1]. References: | |||||
Regorafenib monohydrate Dilution Calculator
Regorafenib monohydrate Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 1.9967 mL | 9.9834 mL | 19.9669 mL | 39.9337 mL | 49.9171 mL |
| 5 mM | 0.3993 mL | 1.9967 mL | 3.9934 mL | 7.9867 mL | 9.9834 mL |
| 10 mM | 0.1997 mL | 0.9983 mL | 1.9967 mL | 3.9934 mL | 4.9917 mL |
| 50 mM | 0.0399 mL | 0.1997 mL | 0.3993 mL | 0.7987 mL | 0.9983 mL |
| 100 mM | 0.02 mL | 0.0998 mL | 0.1997 mL | 0.3993 mL | 0.4992 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
Calcutta University
University of Minnesota
University of Maryland School of Medicine
University of Illinois at Chicago
The Ohio State University
University of Zurich
Harvard University
Colorado State University
Auburn University
Yale University
Worcester Polytechnic Institute
Washington State University
Stanford University
University of Leipzig
Universidade da Beira Interior
The Institute of Cancer Research
Heidelberg University
University of Amsterdam
University of Auckland
TsingHua University
The University of Michigan
Miami University
DRURY University
Jilin University
Fudan University
Wuhan University
Sun Yat-sen University
Universite de Paris
Deemed University
Auckland University
The University of Tokyo
Korea University
Regorafenib monohydrate is a multitargetedinhibitor of tyrosine kinase with IC50 values of 13nM, 4.2nM, 46nM, 2.5nM, 28nM, 19nM, 202nM, 22nM, 7nM, 1.5nM and 311nM, respectively for VEGFR-1, mVEGFR-2, mVEGFR-3, Raf-1, BRAF WT, BRAFV600E, FGFR-1, PDGFR-β, c-KIT, RETand TIE2 [1].
Regorafenib is a multikinase inhibitor of both intracellular and membrane-bound RTKs. It shows potent inhibition of angiogenic and stromal RTKs like VEGF receptors-1-3, PDGFR-β and FGF receptor-1 with IC50 values ranging from4.2 to 311nM in biochemical assays. It also inhibits oncogenic RTKs, such as RET and c-KIT, with IC50 values ranging from 1.5 to 28nM in cellular assays [1].
Regorafenib is reported to have anti-tumor efficacy to various tumors including breast, pancreas, thyroid, melanoma, GIST, and CRC with a mean IC50 value less than 1μM. These inhibition effects of tumor growth are also found in mouse xenograft models after the treatment of regorafenib at dose ranging from 10 to 100 mg/kg [1].
References:
[1] Crona DJ, Keisler MD, Walko CM.Regorafenib: a novel multitargeted tyrosine kinase inhibitor for colorectal cancer and gastrointestinal stromal tumors.Ann Pharmacother. 2013 Dec;47(12):1685-96.
- Dabigatran etexilate benzenesulfonate
Catalog No.:BCC8925
CAS No.:1019206-65-5
- sodium 4-pentynoate
Catalog No.:BCC1958
CAS No.:101917-30-0
- LX-4211
Catalog No.:BCC1714
CAS No.:1018899-04-1
- 7-Z-Trifostigmanoside I
Catalog No.:BCN7869
CAS No.:1018898-17-3
- Diclazuril
Catalog No.:BCC8937
CAS No.:101831-37-2
- Butenafine HCl
Catalog No.:BCC4768
CAS No.:101827-46-7
- TG 100801 Hydrochloride
Catalog No.:BCC1997
CAS No.:1018069-81-2
- Desacetylmatricarin
Catalog No.:BCN7258
CAS No.:10180-88-8
- 7-O-Demethyl-3-isomangostin hydrate
Catalog No.:BCN7882
CAS No.:
- Elliotinol
Catalog No.:BCN5833
CAS No.:10178-31-1
- Boc-N-Me-Ser-OH
Catalog No.:BCC2613
CAS No.:101772-29-6
- PK 44 phosphate
Catalog No.:BCC2366
CAS No.:1017682-65-3
- Calyculin A
Catalog No.:BCC2457
CAS No.:101932-71-2
- S0859
Catalog No.:BCC1914
CAS No.:1019331-10-2
- Octacosyl (E)-ferulate
Catalog No.:BCN5834
CAS No.:101959-37-9
- Zardaverine
Catalog No.:BCC2069
CAS No.:101975-10-4
- GW791343 dihydrochloride
Catalog No.:BCC1613
CAS No.:1019779-04-4
- Acetoacetanilide
Catalog No.:BCC8803
CAS No.:102-01-2
- 3,4-Dihydroxyphenylacetic Acid
Catalog No.:BCC8281
CAS No.:102-32-9
- Phenyethyl 3-methylcaffeate
Catalog No.:BCN8457
CAS No.:71835-85-3
- Sulfaclozine
Catalog No.:BCC9155
CAS No.:102-65-8
- 20,24-Epoxy-24-methoxy-23(24-25)abeo-dammaran-3-one
Catalog No.:BCN1639
CAS No.:1020074-97-8
- SGI-1027
Catalog No.:BCC4588
CAS No.:1020149-73-8
- DCC-2036 (Rebastinib)
Catalog No.:BCC4390
CAS No.:1020172-07-9
Comparison of the crystal structures of the potent anticancer and anti-angiogenic agent regorafenib and its monohydrate.[Pubmed:27045179]
Acta Crystallogr C Struct Chem. 2016 Apr;72(Pt 4):291-6.
Regorafenib {systematic name: 4-[4-({[4-chloro-3-(trifluoromethy)phenyl]carbamoyl}amino)-3-fluorophenoxy]-1-met hylpyridine-2-carboxamide}, C21H15ClF4N4O3, is a potent anticancer and anti-angiogenic agent that possesses various activities on the VEGFR, PDGFR, raf and/or flt-3 kinase signaling molecules. The compound has been crystallized as polymorphic form I and as the monohydrate, C21H15ClF4N4O3.H2O. The regorafenib molecule consists of biarylurea and pyridine-2-carboxamide units linked by an ether group. A comparison of both forms shows that they differ in the relative orientation of the biarylurea and pyridine-2-carboxamide units, due to different rotations around the ether group, as measured by the C-O-C bond angles [119.5 (3) degrees in regorafenib and 116.10 (15) degrees in the monohydrate]. Meanwhile, the conformational differences are reflected in different hydrogen-bond networks. Polymorphic form I contains two intermolecular N-H...O hydrogen bonds, which link the regorafenib molecules into an infinite molecular chain along the b axis. In the monohydrate, the presence of the solvent water molecule results in more abundant hydrogen bonds. The water molecules act as donors and acceptors, forming N-H...O and O-H...O hydrogen-bond interactions. Thus, R4(2)(28) ring motifs are formed, which are fused to form continuous spiral ring motifs along the a axis. The (trifluoromethyl)phenyl rings protrude on the outside of these motifs and interdigitate with those of adjacent ring motifs, thereby forming columns populated by halogen atoms.
