| Size | Price | Stock | Qty |
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| 2mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| Other Sizes |
| Targets |
N-Desmethyl Apalutamide targets the androgen receptor (AR), a nuclear receptor that plays a critical role in the growth and proliferation of prostate cancer cells. As a less potent antagonist of the AR, it competes with endogenous androgens (like testosterone and dihydrotestosterone) for binding to the receptor, thereby inhibiting AR-mediated gene transcription and downstream signaling pathways that drive tumor growth.
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| ln Vitro |
N-Desmethyl Apalutamide has demonstrated in vitro activity as an androgen receptor antagonist. It is a less potent antagonist compared to its parent drug, Apalutamide, contributing to approximately one-third of the overall activity. Its primary use in vitro is as a reference standard in analytical and metabolic studies to accurately quantify drug exposure and metabolic pathways in prostate cancer research and clinical pharmacology.
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| ln Vivo |
In vivo, N-Desmethyl Apalutamide is formed as the major active metabolite following Apalutamide administration. It contributes to the overall therapeutic effect of the parent drug in treating prostate cancer. Its role in vivo is primarily understood through pharmacokinetic and pharmacodynamic studies, where its concentration is correlated with AR inhibition and antitumor efficacy. The compound is a key analyte in clinical pharmacology for evaluating drug exposure and response.
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| Enzyme Assay |
In vitro enzyme/receptor binding (non-cell) assays for N-Desmethyl Apalutamide typically involve radioligand binding studies to determine its affinity for the androgen receptor. The receptor is incubated with increasing concentrations of the compound and a fixed concentration of a radiolabeled androgen (e.g., ³H-R1881). Bound and free radioligand are separated, and radioactivity is measured. IC50 and Ki values are calculated to quantify its binding affinity, which is lower than that of the parent drug.
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| Cell Assay |
For in vitro cell-based assays, prostate cancer cell lines (e.g., LNCaP, VCaP) are cultured and treated with N-Desmethyl Apalutamide. AR antagonism is confirmed by measuring the expression of androgen-responsive genes (e.g., PSA, TMPRSS2) via qRT-PCR. Cell proliferation assays are used to assess its ability to inhibit androgen-dependent growth. Its potency is compared to Apalutamide to quantify its relative activity, which is approximately one-third.
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| Animal Protocol |
In vivo animal studies with N-Desmethyl Apalutamide are typically conducted in mouse xenograft models of prostate cancer. Immunodeficient mice are implanted with AR-positive tumor cells and treated with the compound. Tumor growth inhibition is monitored. Pharmacokinetic studies assess its formation from Apalutamide and its own clearance. Tissue distribution and target engagement in the tumor are key endpoints for evaluating its contribution to the overall efficacy.
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| ADME/Pharmacokinetics |
N-Desmethyl Apalutamide (CAS: 1332391-11-3) has a molecular weight of 463.41 g/mol and a molecular formula of C20H13F4N5O2S. It is a white to off-white solid powder. It is soluble in DMSO at ~100 mg/mL. Storage recommendations are powder at -20°C for up to 3 years and in solvent at -80°C for up to 6 months. It is a key metabolite for understanding the pharmacokinetics and pharmacodynamics of Apalutamide.
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| Toxicity/Toxicokinetics |
N-Desmethyl Apalutamide is an active metabolite with lower potency than the parent drug. As such, its toxicity profile is expected to be similar to that of Apalutamide, but the risk is primarily associated with the parent drug. Apalutamide is generally well-tolerated, with common side effects including fatigue, hypertension, rash, and hypothyroidism. The compound is used in research and analytical applications, not for direct human therapeutic use.
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| References |
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| Additional Infomation |
N-Desmethyl Apalutamide is a CYP2C8 and CYP3A4-mediated, N-demethylated active metabolite of Apalutamide. It is a less potent antagonist of the androgen receptor, responsible for about one-third of the activity of the parent drug. It is a valuable tool in oncology research, prostate cancer drug development, and clinical pharmacology. It is not an approved drug and is intended for research and analytical use only.
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| Molecular Formula |
C20H13F4N5O2S
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|---|---|
| Molecular Weight |
463.408136129379
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| Exact Mass |
463.07
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| Elemental Analysis |
C, 51.84; H, 2.83; F, 16.40; N, 15.11; O, 6.90; S, 6.92
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| CAS # |
1332391-11-3
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| Related CAS # |
1332391-11-3
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| PubChem CID |
86683490
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| Appearance |
White to off-white solid powder
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| LogP |
2.6
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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 |
32
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| Complexity |
870
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
BAANHOAPFBHUDX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H13F4N5O2S/c21-14-7-10(2-3-12(14)16(26)30)29-18(32)28(17(31)19(29)4-1-5-19)11-6-13(20(22,23)24)15(8-25)27-9-11/h2-3,6-7,9H,1,4-5H2,(H2,26,30)
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| Chemical Name |
4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide
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| Synonyms |
N-Desmethyl Apalutamide
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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) |
DMSO : ~100 mg/mL (~215.79 mM)
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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 | 2.1579 mL | 10.7896 mL | 21.5792 mL | |
| 5 mM | 0.4316 mL | 2.1579 mL | 4.3158 mL | |
| 10 mM | 0.2158 mL | 1.0790 mL | 2.1579 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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