Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Regorafenib (BAY 73-4506) is a multi-target inhibitor for VEGFR1, VEGFR2, VEGFR3, PDGFRβ, Kit, RET and Raf-1 with IC50 of 13 nM/4.2 nM/46 nM, 22 nM, 7 nM, 1.5 nM and 2.5 nM, respectively.
| ALogP | 4.2 |
|---|
| Pubchem Sid | 504766102 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504766102 |
| Canonical 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 |
| IUPAC Name | 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide |
| InChIKey | FNHKPVJBJVTLMP-UHFFFAOYSA-N |
| 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) |
| Isomeric 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 |
| PubChem CID | 11167602 |
| Molecular Weight | 482.82 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylethers |
| Alternative Parents | Trifluoromethylbenzenes N-phenylureas Pyridinecarboxamides Phenoxy compounds Phenol ethers 2-heteroaryl carboxamides Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organofluorides Organonitrogen compounds Alkyl fluorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diaryl ether - N-phenylurea - Trifluoromethylbenzene - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Phenoxy compound - Phenol ether - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Carboxamide group - Carbonic acid derivative - Secondary carboxylic acid amide - Urea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. |
| External Descriptors | aromatic ether - ureas - monochlorobenzenes - monofluorobenzenes - (trifluoromethyl)benzenes - pyridinecarboxamide |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Nov 06, 2025 | R127804 | |
| Certificate of Analysis | Nov 06, 2025 | R127804 | |
| Certificate of Analysis | Sep 16, 2025 | R127804 | |
| Certificate of Analysis | Oct 17, 2024 | R127804 | |
| Certificate of Analysis | Oct 17, 2024 | R127804 | |
| Certificate of Analysis | Oct 17, 2024 | R127804 | |
| Certificate of Analysis | Oct 10, 2024 | R127804 | |
| Certificate of Analysis | Oct 10, 2024 | R127804 | |
| Certificate of Analysis | Oct 10, 2024 | R127804 | |
| Certificate of Analysis | Jan 25, 2023 | R127804 |
| Solubility | DMSO ≥95mg/mL;Water <1 mg/mL;Ethanol <1 mg/mL |
|---|---|
| Sensitivity | Heat Sensitive |
| Melt Point(°C) | 208 °C |
| Molecular Weight | 482.800 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 482.077 Da |
| Monoisotopic Mass | 482.077 Da |
| Topological Polar Surface Area | 92.400 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 686.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Hang Hu, Defeng Xu. (2022) pH-Sensitive nanoparticles co-loaded with dimethylcurcumin and regorafenib for targeted combinational therapy of hepatocellular carcinoma. EUROPEAN POLYMER JOURNAL, [PMID:] [10.1016/j.eurpolymj.2022.111434] |
| 2. Tianfeng Yang, Jian Huo, Rui Xu, Yanmin Zhang. (2021) Synergistic effect of toosendanin and regorafenib against cell proliferation and migration by regulating WWOX signaling pathway in hepatocellular carcinoma. PHYTOTHERAPY RESEARCH, 35 (8): (4567-4578). [PMID:34058790] [10.1002/ptr.7174] |
| 3. Ruobing Wang, Yahui Liu, Xuguang Mi, Qingmin Chen, Peiqiang Jiang, Junjie Hou, Yifan Lin, Siqi Li, Bai Ji, Yanqiu Fang. (2020) Sirt3 promotes hepatocellular carcinoma cells sensitivity to regorafenib through the acceleration of mitochondrial dysfunction. ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS, [PMID:32562663] [10.1016/j.abb.2020.108415] |
| 4. Tongge Li, Shihui Wang, Qianhui Ling, Junyi Sun, Ning Yang, Zhanglei Fu, Zhaoyuan Zhang, Si Chen, Yanfei Wang, Ni Yu, Yafei Wang, Zhexuan Ding, Haodong Liu, Yanwei Jia, Yifang Wang, Xingcai Zhang. (2025) Cell Viability, Drug Screening, and Mechanism Study Under Mild Phototherapy Integrated Chemotherapy (PIC). Advanced Science, [PMID:40883257] [10.1002/advs.202502836] |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →