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| Targets |
The primary target of VPC-18005 is the ERG transcription factor, specifically its ETS DNA-binding domain. By binding to the ERG-ETS domain, VPC-18005 prevents ERG from interacting with its DNA target sites, thereby disrupting its transcriptional activity. It has a Kd of 250 µM.
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| ln Vitro |
In PNT1B-ERG and VCaP cells, VPC-18005 is observed to reduce pETS-luc reporter activity with IC50 values of 3 and 6 μM, respectively[1]. Without displaying overt cytotoxicity, VPC-18005 could inhibit ERG reporter activity[1]. In vitro, -18005 prevents ERG-overexpressing cells from migrating and invading[1]. Prostate cells that express ERG have the ability to spread, while VPC-18005 can counteract this ability[1]. The spread of cancer cells in zebrafsh was reduced by 20–30% in larvae exposed to 1 or 10 µM of VPC-18005[2].
In vitro, VPC-18005 inhibits ERG-induced transcription and interacts directly with the ERG-ETS domain. It is a potent inhibitor of luciferase activity in reporter gene assays. It disrupts the binding of ERG to DNA, leading to decreased expression of genes involved in cell proliferation and survival. |
| ln Vivo |
In vivo, VPC-18005 has shown efficacy in preclinical models of prostate cancer. By inhibiting ERG, it reduces tumor growth and progression. It is a research tool for studying the role of ERG in prostate cancer and other malignancies.
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| Enzyme Assay |
Non-cellular assays for VPC-18005 typically involve measuring its binding affinity to the ERG-ETS domain using surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC). DNA-binding inhibition can be assessed using electrophoretic mobility shift assays (EMSAs) or fluorescence polarization.
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: PNT1B-Mock cells and PNT1B-ERG cells. Tested Tested Concentrations: 5 µM. Incubation Duration: 24 h. Experimental Results: Inhibited migration and invasion of prostate cell lines in vitro. In vitro cellular assays for VPC-18005 are conducted using prostate cancer cell lines with ERG gene fusions. Cells are treated with the compound, and ERG target gene expression is measured by qPCR. Cell proliferation, migration, and invasion assays are used to assess the functional effects of ERG inhibition. |
| Animal Protocol |
In vivo animal experiments for VPC-18005 typically use mouse xenograft models of prostate cancer. The compound is administered orally or via injection, and tumor growth inhibition is measured. ERG target gene expression and other biomarkers are assessed in tumor tissues.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of VPC-18005 are not extensively detailed. The compound has a molecular weight of 375.46 g/mol. For in vivo studies, it can be formulated using a vehicle such as 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline.
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| Toxicity/Toxicokinetics |
Toxicological data for VPC-18005 are limited, as it is a research compound. It is for research use only and not for human or veterinary use. Standard laboratory safety precautions should be followed when handling the compound.
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| References |
[1]. Miriam S Butler, et al. Discovery and characterization of small molecules targeting the DNA-binding ETS domain of ERG in prostate cancer. Oncotarget. 2017 Jun 27;8(26):42438-42454.
[2]. Haneen Amawi, et al. The use of zebrafish model in prostate cancer therapeutic development and discovery. Cancer Chemother Pharmacol. 2021 Mar;87(3):311-325. |
| Additional Infomation |
VPC-18005 is a novel small-molecule ERG antagonist that directly targets the ERG-ETS domain. It is a lead candidate for the development of therapies for ERG-driven prostate cancer. It is a valuable probe for studying ERG biology and validating ERG as a therapeutic target.
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| Molecular Formula |
C15H17N3O3S
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|---|---|
| Molecular Weight |
319.38
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| Exact Mass |
319.099
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| CAS # |
2242480-48-2
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| PubChem CID |
135489743
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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 |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
22
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| Complexity |
482
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)C1=CC=C(C=C1)/C=N/N=C/2\NC(=O)C(S2)CC(=O)O
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| InChi Key |
DTEAZCJUKPARQD-LZYBPNLTSA-N
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| InChi Code |
InChI=1S/C15H17N3O3S/c1-9(2)11-5-3-10(4-6-11)8-16-18-15-17-14(21)12(22-15)7-13(19)20/h3-6,8-9,12H,7H2,1-2H3,(H,19,20)(H,17,18,21)/b16-8+
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| Chemical Name |
2-[(2E)-4-oxo-2-[(E)-(4-propan-2-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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: 62.5 mg/mL (195.69 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 | 3.1311 mL | 15.6553 mL | 31.3107 mL | |
| 5 mM | 0.6262 mL | 3.1311 mL | 6.2621 mL | |
| 10 mM | 0.3131 mL | 1.5655 mL | 3.1311 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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