| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
Regorafenib D3 targets the same multi-targeted receptor tyrosine kinases as Regorafenib. Regorafenib is a multi-targeted receptor tyrosine kinase inhibitor. It inhibits various protein kinases involved in tumor angiogenesis (VEGFR1-3, TIE2), oncogenesis (KIT, RET, BRAF), and the tumor microenvironment (PDGFR, FGFR). The deuterium labeling does not significantly alter target binding affinity or selectivity, but provides a mass shift that allows differentiation from the unlabeled compound in analytical assays.
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| ln Vitro |
In vitro studies with Regorafenib D3 primarily focus on its use as an analytical internal standard rather than its pharmacological activity. The compound is used in LC-MS/MS methods for the quantification of Regorafenib in biological matrices. The deuterium labeling provides a mass shift that allows differentiation from the unlabeled compound, enabling accurate quantification. The compound's in vitro activity at receptor tyrosine kinases is expected to be similar to that of unlabeled Regorafenib.
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| ln Vivo |
In vivo studies using Regorafenib D3 are primarily pharmacokinetic, where the compound serves as an internal standard for the quantification of Regorafenib in biological samples. The deuterium-labeled compound can be co-administered with unlabeled Regorafenib to study absorption, distribution, metabolism, and excretion. It has been used in bioequivalence studies and method validation for regulatory submissions. Its in vivo pharmacological effects are expected to be similar to those of Regorafenib, a multi-targeted receptor tyrosine kinase inhibitor used for the treatment of colorectal cancer, gastrointestinal stromal tumors, and hepatocellular carcinoma.
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| Enzyme Assay |
In vitro enzyme/receptor binding (non-cell) assays for Regorafenib D3 are typically performed as part of analytical method validation rather than pharmacological characterization. The compound is used as an internal standard in LC-MS/MS assays for the quantification of Regorafenib. Kinase inhibition assays can be performed using recombinant kinases and peptide substrates, but the deuterated compound is primarily used for analytical purposes. The compound is dissolved in appropriate solvents (methanol, acetonitrile, or DMSO) and spiked into biological matrices at known concentrations. Calibration curves are generated by plotting the peak area ratio of Regorafenib to Regorafenib D3 against the concentration of Regorafenib.
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| Cell Assay |
For in vitro cell-based assays, Regorafenib D3 can be used in studies investigating Regorafenib's cellular effects. Cancer cell lines are cultured in appropriate media and treated with the compound. Receptor tyrosine kinase inhibition is confirmed by measuring the phosphorylation of downstream signaling proteins via Western blot. Cell viability and proliferation are assessed by MTT or CellTiter-Glo assays. However, the compound's primary use is as an analytical internal standard.
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| Animal Protocol |
In vivo animal studies with Regorafenib D3 are primarily pharmacokinetic. The compound is administered orally to rodents at doses determined from pharmacokinetic studies, and blood samples are collected at predetermined time points. Plasma concentrations of both labeled and unlabeled Regorafenib are analyzed by LC-MS/MS using Regorafenib D3 as the internal standard. For pharmacodynamic studies, the compound's effects on tumor growth and angiogenesis can be evaluated in appropriate animal models. The deuterium labeling may affect the compound's metabolic stability, potentially altering its pharmacokinetic profile.
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| ADME/Pharmacokinetics |
Regorafenib D3 has a molecular weight of 485.83 g/mol and molecular formula C21H12D3ClF4N4O3. Chemical name: 4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy)-N-(methyl-d3)picolinamide. The compound is a deuterium-labeled analog of Regorafenib. Pharmacokinetic properties are expected to be similar to Regorafenib. Regorafenib D3 is used in very small quantities as an analytical internal standard.
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| Toxicity/Toxicokinetics |
As a deuterium-labeled analogue of an approved drug, Regorafenib D3 is expected to have a similar toxicity profile to Regorafenib, though toxicity studies are typically not performed on the labeled compound due to its use as an analytical standard. Regorafenib has side effects including fatigue, hand-foot skin reaction, diarrhea, and hypertension. Regorafenib D3 is used in very small quantities as an analytical internal standard and does not pose significant toxicity risks under normal handling.
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| References | |
| Additional Infomation |
Regorafenib D3 is a deuterium-labeled form of Regorafenib, a multi-targeted receptor tyrosine kinase inhibitor. It has a molecular weight of 485.83 g/mol and molecular formula C21H12D3ClF4N4O3. The compound is used as an internal standard for analytical method development, method validation, quality control applications for abbreviated new drug applications, or during commercial production of Regorafenib. Regorafenib D3 is also known as BAY 73-4506 D3. The compound is not intended for therapeutic use and is for research and analytical use only.
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| Molecular Formula |
C21H12D3N4O3F4CL
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|---|---|
| Molecular Weight |
485.834
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| Exact Mass |
485.096
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| CAS # |
1255386-16-3
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| Related CAS # |
Regorafenib;755037-03-7;Regorafenib mesylate;835621-08-4
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| PubChem CID |
49822400
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| Appearance |
White to off-white solid powder
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| LogP |
6.225
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
33
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| Complexity |
686
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])NC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F
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| InChi Key |
FNHKPVJBJVTLMP-FIBGUPNXSA-N
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| InChi Code |
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
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| Chemical Name |
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0583 mL | 10.2917 mL | 20.5833 mL | |
| 5 mM | 0.4117 mL | 2.0583 mL | 4.1167 mL | |
| 10 mM | 0.2058 mL | 1.0292 mL | 2.0583 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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