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| Targets |
Androgen receptor antagonist 9 targets the androgen receptor (AR), functioning as a selective antagonist. By binding to AR, it inhibits AR activity in cellular contexts. This inhibition of AR signaling prevents androgen-induced receptor activation and AR-mediated transcription. The compound is primarily utilized in research focusing on androgen signaling pathways, offering insights into prostate cancer and other androgen-related diseases. Its selectivity for AR over other nuclear receptors makes it a valuable tool for studying AR biology.
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| ln Vitro |
In vitro, androgen receptor antagonist 9 functions as a selective antagonist of the androgen receptor, inhibiting its activity in cellular contexts. Its activity is assessed in cell-based assays measuring AR-mediated transcriptional activity using AR-responsive reporter gene constructs. The compound's effects on cell proliferation and AR target gene expression are evaluated in AR-positive prostate cancer cell lines. Its selectivity for AR over other nuclear receptors is confirmed through parallel assays. Androgen receptor antagonist 9 is used in research on androgen signaling pathways.
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| ln Vivo |
Specific in vivo activity data for androgen receptor antagonist 9 are not extensively documented in the publicly available literature. As an AR antagonist, the compound has potential applications in prostate cancer research and other androgen-related diseases. Further in vivo studies are needed to characterize its efficacy, pharmacokinetics, and safety profile. The compound is for research use only.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for androgen receptor antagonist 9 typically involve competitive binding experiments using androgen receptor and radiolabeled or fluorescently labeled androgen as tracer. The compound's binding affinity to AR is assessed, with IC₅₀ values determined through dose-response binding experiments. Assays are conducted in buffered solutions at physiological pH with appropriate receptor preparations. Its antagonist activity is confirmed through functional assays measuring AR-mediated transcriptional inhibition using AR-responsive reporter gene constructs.
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| Cell Assay |
In vitro cell-based assays for androgen receptor antagonist 9 utilize AR-positive prostate cancer cell lines. Cells are treated with varying concentrations of the compound for 24-72 hours. AR-mediated transcriptional activity is evaluated using reporter gene assays with androgen response element (ARE)-luciferase constructs. Cell proliferation is assessed using MTT or CCK-8 assays. The expression of AR target genes such as PSA is measured by qPCR. Standard cell culture conditions (37°C, 5% CO₂) with charcoal-stripped serum are employed to minimize background androgen activity.
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| Animal Protocol |
In vivo animal studies with androgen receptor antagonist 9 would typically involve administration of the compound to rodent models of prostate cancer or other androgen-driven conditions. Potential study designs include xenograft models using AR-positive cancer cell lines. Endpoints include tumor growth measurements, assessment of AR target gene expression in tumor tissues, evaluation of apoptosis markers, and pharmacokinetic profiling. All procedures must comply with institutional animal care and use guidelines. Detailed published in vivo protocols are not currently available.
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| ADME/Pharmacokinetics |
Androgen receptor antagonist 9 has a molecular weight of 405.39 g/mol and a molecular formula of C₁₉H₁₄F₃N₃O₂S. It is soluble in DMSO at ≥52.4 mg/mL and in ethanol at ≥10.32 mg/mL with ultrasonic assistance, and is insoluble in water. As a small molecule with favorable physicochemical properties, it may have suitable characteristics for oral bioavailability, though detailed PK parameters have not been published. The compound is typically stored under conditions recommended for research chemicals.
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| Toxicity/Toxicokinetics |
Androgen receptor antagonist 9 is intended for research use only and is not approved for human therapeutic applications. As a research chemical, comprehensive toxicological data are not available in the publicly accessible literature. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment. As with all research chemicals, comprehensive toxicological profiling would be required before any consideration for clinical development. The compound should be handled in well-ventilated areas with proper waste disposal procedures.
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| References | |
| Additional Infomation |
Androgen receptor antagonist 9 (CAS#: 915086-32-7) has a molecular formula of C₁₉H₁₄F₃N₃O₂S and a molecular weight of 405.39 g/mol. It is a selective antagonist of the androgen receptor, inhibiting its activity in cellular contexts. It is utilized in research on androgen signaling pathways, prostate cancer, and other androgen-related diseases. This compound is not a drug and has not undergone clinical trials.
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| Molecular Formula |
C19H14F3N3O2S
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| Molecular Weight |
405.39
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| Exact Mass |
405.076
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| CAS # |
915086-32-7
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| PubChem CID |
15952685
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| Appearance |
White to off-white solid powder
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| Density |
1.52±0.1 g/cm3 (20 °C, 760 mmHg)
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| Boiling Point |
548.7±60.0 °C (760 mmHg)
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| LogP |
4.329
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
28
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| Complexity |
694
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)O)C3=CC(=C(C=C3)C#N)C(F)(F)F)C
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| InChi Key |
VIMSHSUYAZHWKM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H14F3N3O2S/c1-18(2)16(27)24(17(28)25(18)12-5-7-14(26)8-6-12)13-4-3-11(10-23)15(9-13)19(20,21)22/h3-9,26H,1-2H3
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| Chemical Name |
4-[3-(4-hydroxyphenyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 | 2.4668 mL | 12.3338 mL | 24.6676 mL | |
| 5 mM | 0.4934 mL | 2.4668 mL | 4.9335 mL | |
| 10 mM | 0.2467 mL | 1.2334 mL | 2.4668 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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