| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| 1g | |||
| Other Sizes |
| Targets |
AR antagonist 1 targets the androgen receptor (AR), a nuclear receptor that mediates the effects of androgens. By competitively binding to the receptor, it blocks androgen-mediated transcriptional activity. It also has weak binding affinities to VHL protein, which allows it to be used as a ligand for E3 ligase in PROTAC synthesis.
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| ln Vitro |
AR antagonist 1 (compound 29) acts as a ligand for ARD-266's target ligases. ARD-266 is a highly powerful androgen receptor (AR) PROTAC degrader that uses VHL E3 ligase. AR antagonist 1 has a micromolar binding affinity to its E3 ligase complex and can be successfully used to create very potent and efficient PROTAC degraders. PROTACs have two distinct ligands linked together by a linker; one is a ligand for an E3 ubiquitin ligase, and the other is for the target protein. PROTACs use the intracellular ubiquitin-proteasome system to selectively destroy certain proteins.
In vitro, AR antagonist 1 is a potent androgen receptor antagonist. It inhibits AR signaling by competitively binding to the receptor, blocking androgen-mediated transcriptional activity. The compound has a micromolar binding affinity to its E3 ligase complex. It is used as a ligand for ARD-266's target ligases in the synthesis of PROTAC degraders. |
| ln Vivo |
In vivo, AR antagonist 1 is used in research to study androgen receptor signaling and to develop PROTAC-based degraders for the treatment of prostate cancer and other androgen-dependent diseases. As a component of PROTAC ARD-266, it facilitates the degradation of the androgen receptor. Further in vivo studies are needed to evaluate its efficacy.
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| Enzyme Assay |
The in vitro receptor binding assay for AR antagonist 1 measures its affinity for the androgen receptor. Radioligand binding studies are performed using membrane preparations from cells expressing the AR. The compound's ability to compete with a radiolabeled androgen is measured, and Ki values are calculated. Its binding affinity to VHL is also assessed using similar assays to confirm its utility in PROTAC synthesis.
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| Cell Assay |
In vitro cellular studies are conducted using prostate cancer cell lines expressing the androgen receptor. Cells are treated with AR antagonist 1 at various concentrations. AR transcriptional activity is measured using reporter gene assays. Cell proliferation is assessed using MTT or CellTiter-Glo assays. AR degradation (when used as part of a PROTAC) is assessed by Western blot. Apoptosis is measured by Annexin V/PI staining.
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| Animal Protocol |
In vivo animal experiments are performed in xenograft models of prostate cancer. Animals are administered AR antagonist 1 (as part of a PROTAC or alone) via various routes. Tumor volume is measured over time, and endpoints include tumor growth inhibition and survival. Pharmacodynamic studies evaluate AR degradation and downstream signaling in tumor tissues.
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| ADME/Pharmacokinetics |
AR antagonist 1 has a molecular formula and molecular weight consistent with its structure (compound 29). It is soluble in DMSO and other organic solvents. For storage, it should be kept at -20°C, protected from light and moisture. The compound is supplied with high purity for research purposes. For in vivo administration, appropriate formulations should be used.
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| Toxicity/Toxicokinetics |
As a research chemical with potent biological activity, AR antagonist 1 is not intended for human use. Its toxicological profile is not fully characterized. Standard laboratory safety precautions should be followed when handling it. Its effects are related to its mechanism as an androgen receptor antagonist and its role in PROTAC synthesis.
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| References | |
| Additional Infomation |
AR antagonist 1 is also known as compound 29. It is a potent antagonist of the androgen receptor and binds to E3 ligase ligands with weak binding affinities to VHL protein. It is used in the synthesis of PROTAC ARD-266, a highly potent VHL E3 ligase-based androgen receptor degrader. The compound has pivotal applications in oncology and endocrinology research.
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| Molecular Formula |
C15H19CLN2O
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|---|---|
| Molecular Weight |
278.7772
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| Exact Mass |
278.118
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| CAS # |
1818885-54-9
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| PubChem CID |
118435261
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.18±0.1 g/cm3(Predicted)
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| Boiling Point |
394.9±42.0 °C(Predicted)
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| LogP |
3.6
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
19
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| Complexity |
382
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=C(C#N)C=CC(=C1)OC1C(C)(C)C(C1(C)C)N
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| InChi Key |
ZMQAQKRIAFCCDB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H19ClN2O/c1-14(2)12(18)15(3,4)13(14)19-10-6-5-9(8-17)11(16)7-10/h5-7,12-13H,18H2,1-4H3
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| Chemical Name |
4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2-chlorobenzonitrile
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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 | 3.5871 mL | 17.9353 mL | 35.8706 mL | |
| 5 mM | 0.7174 mL | 3.5871 mL | 7.1741 mL | |
| 10 mM | 0.3587 mL | 1.7935 mL | 3.5871 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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