| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
The primary target of sorafenib is a panel of serine/threonine and receptor tyrosine kinases, including Raf-1, B-Raf, VEGFR-2, VEGFR-3, PDGFR-β, c-Kit, and RET. Sorafenib inhibits these kinases, blocking tumor cell proliferation and angiogenesis. The deuterated form retains the same chemical structure and biological activity as sorafenib but is used only as an analytical tracer.
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|---|---|
| ln Vitro |
In vitro activity data for Sorafenib (D4) are not applicable, as it is not used as a bioactive compound. It is employed as an internal standard in analytical assays, where it is spiked into samples at a fixed concentration to correct for matrix effects and extraction efficiency during LC-MS/MS quantification of sorafenib. The deuterated standard exhibits identical chromatographic behavior to the non-deuterated drug.
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| ln Vivo |
In vivo activity data for Sorafenib (D4) are not available, as it is not administered as a therapeutic agent. It is used as an internal standard in pharmacokinetic studies of sorafenib in animals and humans. Plasma concentrations of sorafenib are measured by LC-MS/MS using the deuterated standard for accurate quantification.
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| Enzyme Assay |
For non-cellular analytical assays, Sorafenib (D4) is used as an internal standard in LC-MS/MS methods. Biological samples (plasma, serum, urine) are extracted by protein precipitation or liquid-liquid extraction, and the deuterated standard is added before extraction. Chromatographic separation is achieved on a C18 column with a gradient of water/acetonitrile containing formic acid. Quantification is performed by multiple reaction monitoring (MRM) in positive ion mode.
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| Cell Assay |
For cell-based assays, Sorafenib (D4) is not used, as it lacks biological activity and cellular targets. Its non-deuterated counterpart may be tested in cell-based assays for kinase inhibition, but the deuterated standard is used only for analytical quantification. No cellular functional readouts are applicable.
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| Animal Protocol |
For in vivo experiments, Sorafenib (D4) is not administered as a drug. In pharmacokinetic studies, sorafenib is administered to animals or humans, and blood samples are collected at various time points. The deuterated standard is added to plasma samples before extraction and LC-MS/MS analysis.
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| References |
| Molecular Formula |
C??H??D?CLF?N?O?
|
|---|---|
| Molecular Weight |
468.85
|
| Exact Mass |
468.111
|
| CAS # |
1207560-07-3
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| Related CAS # |
Sorafenib;284461-73-0;Sorafenib-d3;1130115-44-4;Sorafenib-13C,d3;1210608-86-8
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| PubChem CID |
44814842
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| Appearance |
Off-white to light yellow solid
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| LogP |
4.1
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| tPSA |
92.4
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| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
32
|
| Complexity |
646
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C1=C(C(=C(C(=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)[2H])[2H])OC3=CC(=NC=C3)C(=O)NC)[2H]
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| InChi Key |
MLDQJTXFUGDVEO-KDWOUJHVSA-N
|
| InChi Code |
InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)/i2D,3D,5D,6D
|
| Chemical Name |
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-2,3,5,6-tetradeuteriophenoxy]-N-methylpyridine-2-carboxamide
|
| Synonyms |
Bay 43-9006 D4BAY-549085 D4 BAY-439006 D4 Nexavar SFN
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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 | 2.1329 mL | 10.6644 mL | 21.3288 mL | |
| 5 mM | 0.4266 mL | 2.1329 mL | 4.2658 mL | |
| 10 mM | 0.2133 mL | 1.0664 mL | 2.1329 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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