| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
CLP-3094 targets the androgen receptor (AR) at the BF3 (binding function 3) site, a surface site on the AR ligand-binding domain that is distinct from the classical ligand-binding pocket. BF3 is involved in the regulation of AR transcriptional activity through interactions with co-regulators. By binding to BF3, CLP-3094 inhibits AR transcriptional activity with an IC₅₀ of 4 μM. This represents a novel mechanism of AR inhibition that is distinct from conventional AR antagonists that target the ligand-binding domain. CLP-3094 is also a selective, potent GPR142 antagonist.
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| ln Vitro |
Using CHO-K1 cells expressing GPR142 in the aequorin assay and HEK293 cells expressing GPR142 in the SPA assay, CLP-3094 inhibits the increase of intracellular Ca2+ concentration ([Ca2+]i) induced by L-tryptophan. In the aequorin assay, CLP-3094's IC50 values are 0.2 μM for the mouse receptor against 200 μM L-tryptophan and 2.3 μM for the human receptor against 1 mM L-tryptophan. Moreover, CLP-3094 prevents islets from secreting insulin in response to GPR142 and L-tryptophan agonists[2].
In vitro, CLP-3094 inhibits AR transcriptional activity with an IC₅₀ of 4 μM. It functions as a BF3-directed inhibitor of the androgen receptor, targeting a site distinct from the ligand-binding domain. The compound's activity is assessed in cell-based assays measuring AR-mediated transcriptional activity using AR-responsive reporter gene constructs. Its selectivity for AR over other nuclear receptors is confirmed through parallel assays. CLP-3094 is also a selective GPR142 antagonist. |
| ln Vivo |
Compared to mice given with a vehicle, CLP-3094 (30, 100 mg/kg; intraperitoneally every day from Day 0 to Day 11) consistently showed significantly reduced arthritis scores[2].
Specific in vivo activity data for CLP-3094 are not extensively documented in the publicly available literature. As a BF3-directed AR inhibitor, the compound has potential applications in prostate cancer research, particularly in cases where resistance to conventional AR antagonists has developed. Its dual activity as a GPR142 antagonist may offer additional therapeutic opportunities. Further in vivo studies are needed to characterize its efficacy, pharmacokinetics, and safety profile. The compound is for research use only. |
| Enzyme Assay |
In vitro enzyme/receptor binding assays for CLP-3094 typically involve assessing its binding to the BF3 site of the androgen receptor. Binding affinity is assessed using biophysical methods such as surface plasmon resonance (SPR), isothermal titration calorimetry (ITC), or fluorescence polarization using purified AR LBD protein. The compound's ability to inhibit AR transcriptional activity is confirmed through functional assays using AR-responsive reporter gene constructs with IC₅₀ values determined through dose-response experiments. Its GPR142 antagonist activity is confirmed through parallel assays.
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| Cell Assay |
In vitro cell-based assays for CLP-3094 utilize AR-positive prostate cancer cell lines. Cells are treated with varying concentrations of the compound for 24-48 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. GPR142 antagonist activity can be assessed in appropriate cell models. Standard cell culture conditions (37°C, 5% CO₂) with charcoal-stripped serum are employed.
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| Animal Protocol |
Animal/Disease Models: CAIA mouse model (Female DBA1/J mice were iv administered with2 mg of anti-collagen antibody, followed by ip administration of 50 μg of LPS)[2]
Doses: 30, 100 mg/kg Route of Administration: Ip daily from Day 0 to Day 11 Experimental Results: Dose-dependently decreased, by not much, the arth-ritis scores. In vivo animal studies with CLP-3094 would typically involve administration of the compound to rodent models of prostate cancer. Potential study designs include xenograft models using AR-positive cell lines. Endpoints include tumor growth measurements, assessment of AR target gene expression in tumor tissues, evaluation of apoptosis markers, and pharmacokinetic profiling. The compound's dual mechanism as a BF3-directed AR inhibitor and GPR142 antagonist may offer unique opportunities for combination studies. All procedures must comply with institutional animal care and use guidelines. |
| ADME/Pharmacokinetics |
Specific pharmacokinetic data for CLP-3094 are not extensively documented in the publicly available literature. The compound has a molecular weight of 301.79 g/mol and a molecular formula of C₁₅H₁₂ClN₃OS. 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. Further studies are needed to characterize its absorption, distribution, metabolism, and excretion profile.
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| Toxicity/Toxicokinetics |
CLP-3094 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 |
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| Additional Infomation |
CLP-3094 (CAS#: 312749-73-8) is a potent androgen receptor BF3 (binding function 3)-directed inhibitor with an IC₅₀ of 4 μM for AR transcriptional activity. It is also a selective, potent GPR142 antagonist. CLP-3094 targets the BF3 site on AR, offering a novel mechanism distinct from LBD-targeting antagonists. This compound is not a drug and has not undergone clinical trials.
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| Molecular Formula |
C15H13CLN2OS
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| Molecular Weight |
304.79
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| Exact Mass |
304.043
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| CAS # |
312749-73-8
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| PubChem CID |
1736098
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| Appearance |
Off-white to brown solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
509.6±56.0 °C at 760 mmHg
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| Flash Point |
262.0±31.8 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.693
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| LogP |
5.08
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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 |
5
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| Heavy Atom Count |
20
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| Complexity |
300
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C2C(=C1)NC(=N2)SCCOC3=CC=C(C=C3)Cl
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| InChi Key |
KZEWVENYWPSSOZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H13ClN2OS/c16-11-5-7-12(8-6-11)19-9-10-20-15-17-13-3-1-2-4-14(13)18-15/h1-8H,9-10H2,(H,17,18)
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| Chemical Name |
2-[2-(4-chlorophenoxy)ethylsulfanyl]-1H-benzimidazole
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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 (328.09 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.20 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (8.20 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2809 mL | 16.4047 mL | 32.8095 mL | |
| 5 mM | 0.6562 mL | 3.2809 mL | 6.5619 mL | |
| 10 mM | 0.3281 mL | 1.6405 mL | 3.2809 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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