| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
The unlabeled parent Sunitinib targets VEGFR (1, 2, 3), PDGFRbeta, and KIT. The labeled metabolite is not used to study these targets but serves as an internal standard to accurately quantify the concentration of the N-Desethyl Sunitinib metabolite produced from Sunitinib in vivo.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
In cell-free assays, N-Desethyl Sunitinib-d5 exhibits no biological activity. It is a deuterium-labeled (d5) internal standard used to study the in vitro metabolism of Sunitinib. Sunitinib is a potent, ATP-competitive inhibitor with Ki values of 2 nM (VEGFR-1), 9 nM (VEGFR-2), 17 nM (VEGFR-3), 8 nM (PDGFRbeta), and 4 nM (KIT). |
| ln Vivo |
The labeled standard has no in vivo activity of its own. The parent compound, Sunitinib, is an effective antitumor agent, and its metabolite N-Desethyl Sunitinib contributes to its in vivo activity. The labeled analog is used as a tracer to quantify the levels of this active metabolite in animals or patients undergoing Sunitinib therapy.
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| Enzyme Assay |
A typical LC-MS/MS protocol for quantifying Sunitinib and its metabolites involves spiking a sample with N-Desethyl Sunitinib-d5. The sample undergoes protein precipitation or solid-phase extraction. The extract is then analyzed by LC-MS/MS, monitoring specific mass transitions for both the unlabeled metabolite (for quantification) and the labeled standard (for internal normalization).
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| Cell Assay |
In a typical cellular assay, cells (e.g., cancer cell lines) are treated with unlabeled Sunitinib. The N-Desethyl Sunitinib-d5 internal standard is added to the cell lysate during sample preparation. LC-MS/MS analysis then quantifies the amount of N-Desethyl Sunitinib produced by the cells' metabolic enzymes from the parent drug.
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| Animal Protocol |
A standard in vivo protocol involves administering unlabeled Sunitinib to an animal model. Blood samples are collected over a specific time course. The blood plasma is then processed, and the deuterated internal standard is added to each sample to accurately determine the pharmacokinetic parameters (Cmax, Tmax, AUC, t1/2) of the parent drug and its N-Desethyl metabolite.
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| ADME/Pharmacokinetics |
N-Desethyl Sunitinib-d5 is not used for its own pharmacokinetic properties. It is formulated as a stock solution in DMSO or DMSO/methanol for analytical purposes. As an internal standard, it is typically spiked into calibration standards and quality control samples at a constant low concentration (e.g., 10-100 ng/mL).
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| Toxicity/Toxicokinetics |
General toxicity for the labeled internal standard is not of concern, as it is used in trace amounts. The unlabeled parent drug, Sunitinib, is a potent pharmaceutical with known toxicities including hypertension, fatigue, and diarrhea. Standard safety protocols for handling potent kinase inhibitors should be observed.
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| References |
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| Additional Infomation |
N-Desethyl Sunitinib-d5 is an internal standard used to support the bioanalysis of Sunitinib. The mass shift of +5 Da due to the five deuterium atoms allows for precise correction of matrix effects and extraction recovery. It is a key tool in therapeutic drug monitoring (TDM) of cancer patients and in the drug development of tyrosine kinase inhibitors.
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| Molecular Formula |
C20H23FN4O2
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|---|---|
| Molecular Weight |
370.420627832413
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| Exact Mass |
375.211
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| CAS # |
1217247-62-5
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| Related CAS # |
N-Desethyl Sunitinib;356068-97-8
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| PubChem CID |
46781133
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
1.8
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
27
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| Complexity |
597
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])C([2H])([2H])NCCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C
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| InChi Key |
LIZNIAKSBJKPQC-WTRGBYKBSA-N
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| InChi Code |
InChI=1S/C20H23FN4O2/c1-4-22-7-8-23-20(27)18-11(2)17(24-12(18)3)10-15-14-9-13(21)5-6-16(14)25-19(15)26/h5-6,9-10,22,24H,4,7-8H2,1-3H3,(H,23,27)(H,25,26)/b15-10-/i1D3,4D2
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| Chemical Name |
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-(1,1,2,2,2-pentadeuterioethylamino)ethyl]-1H-pyrrole-3-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 | 2.6996 mL | 13.4982 mL | 26.9964 mL | |
| 5 mM | 0.5399 mL | 2.6996 mL | 5.3993 mL | |
| 10 mM | 0.2700 mL | 1.3498 mL | 2.6996 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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