Cas no 1255386-16-3 (Regorafenib-d)
Regorafenib-d is a deuterated analog of Regorafenib, a multikinase inhibitor used in oncology. The incorporation of deuterium atoms at specific positions enhances the compound's metabolic stability, potentially leading to improved pharmacokinetic profiles such as prolonged half-life and reduced interpatient variability. This modification retains the original drug's inhibitory activity against key tyrosine kinases involved in tumor angiogenesis and proliferation, including VEGFR, PDGFR, and FGFR. Regorafenib-d is primarily utilized in research settings to investigate deuterium's effects on drug metabolism and efficacy. Its stable isotopic labeling also makes it valuable for use as an internal standard in mass spectrometry-based analytical methods, ensuring precise quantification in pharmacokinetic studies.
Regorafenib-d structure
Product Name:Regorafenib-d
CAS No:1255386-16-3
MF:C21H12D3N4O3F4Cl
MW:485.834
CID:2086521
PubChem ID:49822400
Update Time:2025-05-21
Regorafenib-d Chemical and Physical Properties
Names and Identifiers
-
- Regorafenib-d3
- Regorafenib D3
- 4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-(methyl-d3)-2-pyridinecarboxamide
- Regorafenib-d
- CS-0019843
- MS-29028
- AT23956
- 2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-(methyl-d3)-
- DA-77390
- HY-10331S
- 1ST162750D3
- 4-[4-[[4-Chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide
- 1255386-16-3
- AKOS040736575
-
- 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)/i1D3
- InChI Key： FNHKPVJBJVTLMP-FIBGUPNXSA-N
- 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
Computed Properties
- Exact Mass: 485.09600
- Monoisotopic Mass: 485.0957109g/mol
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 33
- Rotatable Bond Count: 5
- Complexity: 686
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 92.4?2
Experimental Properties
- PSA: 92.35000
- LogP: 6.22570
Regorafenib-d Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | R143002-1mg |
Regorafenib-d3 |
1255386-16-3 | 1mg |
$ 224.00 | 2023-09-06 | ||
| TRC | R143002-10mg |
Regorafenib-d3 |
1255386-16-3 | 10mg |
$ 1694.00 | 2023-09-06 | ||
| TRC | R143002-25mg |
Regorafenib-d3 |
1255386-16-3 | 25mg |
$ 3875.00 | 2023-09-06 | ||
| A2B Chem LLC | AA30677-5mg |
2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-(methyl-d3)- |
1255386-16-3 | 98% | 5mg |
$2685.00 | 2024-04-20 | |
| A2B Chem LLC | AA30677-1mg |
2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-(methyl-d3)- |
1255386-16-3 | 98% | 1mg |
$862.00 | 2024-04-20 | |
| MedChemExpress | HY-10331S-1mg |
Regorafenib-d |
1255386-16-3 | ≥98.0% | 1mg |
￥2150 | 2025-04-16 | |
| MedChemExpress | HY-10331S-5mg |
Regorafenib-d |
1255386-16-3 | ≥98.0% | 5mg |
￥5480 | 2025-04-16 |
Regorafenib-d Related Literature
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
1255386-16-3 (Regorafenib-d) Related Products
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- 1125780-41-7(SKLB610)
- 61350-01-4(N-3-(trifluoromethyl)phenylpyridine-2-carboxamide)
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- 137641-17-9(2-Pyridinecarboxamide,N-(2,6-difluorophenyl)-6-[3-(trifluoromethyl)phenoxy]-)
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