| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
As an isotope-labeled internal standard, Apalutamide-d4 does not have a defined biological target as a standalone compound. Its primary application is as an analytical standard for the quantification of the AR antagonist apalutamide. Apalutamide, the non-deuterated parent compound, is a potent and competitive androgen receptor (AR) antagonist that binds AR with an IC₅₀ of 16 nM. By binding to AR, apalutamide prevents androgen-induced receptor activation and inhibits AR-mediated transcription, which is used in the treatment of prostate cancer. The deuterated form serves as an internal standard for accurate measurement.
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| ln Vitro |
As a deuterated internal standard, Apalutamide-d4 does not have intrinsic in vitro biological activity that is separately characterized from its non-deuterated parent compound. Apalutamide, the non-labeled form, is a potent and competitive AR antagonist with an IC₅₀ of 16 nM. In vitro, its activity is assessed in cell-based assays measuring AR-mediated transcriptional activity using AR-responsive reporter gene constructs. The deuterated form serves as an internal standard in analytical studies rather than as a test compound for biological activity assessment.
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| ln Vivo |
Apalutamide-d4 is not used for in vivo pharmacological activity assessment as a standalone compound. Its primary application is as an internal standard for the quantification of apalutamide in biological samples from in vivo studies. Apalutamide, the non-deuterated form, is an approved AR antagonist used for the treatment of prostate cancer. The deuterated internal standard enables accurate measurement of apalutamide levels in pharmacokinetic and bioequivalence studies.
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| Enzyme Assay |
In vitro assays for Apalutamide-d4 typically involve analytical methods for its detection and quantification rather than biological activity assessment. The compound is used as an internal standard in LC-MS/MS methods for the quantification of apalutamide in plasma, urine, and other biological matrices. Sample preparation typically involves protein precipitation or solid-phase extraction, followed by chromatographic separation. The ion transitions for the deuterated internal standard are monitored in multiple reaction monitoring (MRM) mode to ensure accurate quantification. The compound serves as a critical quality control standard in these analytical methods.
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| Cell Assay |
Apalutamide-d4 is not used in cell-based assays as a test compound. Its primary application is as an internal standard for LC-MS/MS quantification in cell culture media or cell lysates from in vitro studies. The compound is used to correct for analytical variability in the quantification of apalutamide in samples from cell-based permeability, transport, and metabolism studies. Standard analytical procedures are employed for its characterization and quantification.
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| Animal Protocol |
Apalutamide-d4 is not used in animal studies as a pharmacological agent. Its primary application is as an internal standard for the quantification of apalutamide in plasma, urine, and tissue samples from pharmacokinetic and toxicokinetic studies. The compound is typically administered as a tracer or co-administered with the non-deuterated drug to enable accurate quantification. Sample collection at various time points is followed by LC-MS/MS analysis using Apalutamide-d4 as the internal standard. All procedures comply with institutional animal care and use guidelines.
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| ADME/Pharmacokinetics |
Apalutamide-d4 has a molecular weight of 481.46 g/mol and a molecular formula of C₂₁H₁₁D₄F₄N₅O₂S. It is used as an internal standard for the quantification of apalutamide by LC-mass spectrometry. As an isotope-labeled compound, its chromatographic and mass spectrometric behavior is nearly identical to that of non-deuterated apalutamide, allowing for precise correction of analytical variability. The compound is typically stored under conditions recommended for stable isotope-labeled standards. Its pharmacokinetic properties as a tracer mirror those of the parent compound.
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| Toxicity/Toxicokinetics |
Apalutamide-d4 is intended for research and analytical use only and is not approved for human therapeutic applications. As a stable isotope-labeled internal standard, it is used in trace quantities in analytical methods and does not present significant toxicological concerns at these levels. The non-deuterated parent compound, apalutamide, is an approved AR antagonist with well-characterized safety and efficacy profiles. Standard laboratory safety precautions should be observed when handling Apalutamide-d4.
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| References | |
| Additional Infomation |
Apalutamide-d4 (ARN-509-d4) (CAS#: 1638885-65-0) is the deuterium-labeled form of Apalutamide. It is intended for use as an internal standard for the quantification of apalutamide by LC-mass spectrometry. Apalutamide is a potent and competitive AR antagonist with an IC₅₀ of 16 nM. This compound is not a drug and is strictly a research reagent for analytical applications.
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| Molecular Formula |
C21H15F4N5O2S
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|---|---|
| Molecular Weight |
481.4594
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| Exact Mass |
481.113
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| CAS # |
1638885-65-0
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| Related CAS # |
Apalutamide;956104-40-8
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| PubChem CID |
86342611
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| Appearance |
White to light yellow solid powder
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| LogP |
3
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
33
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| Complexity |
886
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S=C1N(C2C([H])=NC(C#N)=C(C(F)(F)F)C=2[H])C(C2(C([2H])([2H])C([H])([H])C2([2H])[2H])N1C1C([H])=C([H])C(C(N([H])C([H])([H])[H])=O)=C(C=1[H])F)=O
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| InChi Key |
HJBWBFZLDZWPHF-NZLXMSDQSA-N
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| InChi Code |
InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)/i5D2,6D2
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| Chemical Name |
4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-1,1,3,3-tetradeuterio-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide
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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 | 2.0770 mL | 10.3851 mL | 20.7702 mL | |
| 5 mM | 0.4154 mL | 2.0770 mL | 4.1540 mL | |
| 10 mM | 0.2077 mL | 1.0385 mL | 2.0770 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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