| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
ERRα
The primary target of this compound is the Estrogen-Related Receptor alpha (ERRalpha). It acts by selectively binding to ERRalpha and antagonizing its transcriptional activity, making it a valuable tool for probing the ERRalpha-mediated pathways without interfering with other estrogen receptors. |
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| ln Vitro |
In cell-free assays, ERRalpha antagonist-1 inhibits the protein-protein interaction between ERRalpha and its coactivators PGC-1alpha and PGC-1beta with IC50 values of 170 nM and 180 nM, respectively.It demonstrates high selectivity, as it does not inhibit the interaction of ERRalpha with other coactivators like SRC-1, nor does it affect the interactions of ERRbeta, ERRgamma, ERalpha, or ERbeta with their respective coactivators.
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| ln Vivo |
In vivo data for this specific compound is currently unavailable for public reference. Its primary application is as a biochemical tool for target validation and pathway mapping in cell-based systems rather than a therapeutic candidate with in vivo efficacy data.
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| Enzyme Assay |
Cell-free receptor interaction assays employ a time-resolved fluorescence resonance energy transfer (TR-FRET) format. The assay buffer contains GST-tagged ERRalpha-LBD, biotin-labeled SRC-1 peptide, Europium-labeled anti-GST antibody, and Streptavidin-APC. The test compound is added, and the signal is measured after incubation to determine the half-maximal inhibitory concentration (IC50).
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| Cell Assay |
Cellular assays are conducted using mammalian cells (e.g., HEK-293) co-transfected with an ERRalpha expression vector and a luciferase reporter gene driven by an estrogen response element (ERE). Cells are treated with the compound for 18-24 hours. Luciferase activity is then measured using a luminometer, and the half-maximal inhibitory concentration (IC50) for the antagonism of ERRalpha-induced transcription is calculated.
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| Animal Protocol |
In vivo animal model data is not available for this research compound. As a chemical probe for in vitro and cell-based studies, it is not typically formulated for animal pharmacokinetic or efficacy studies in a standard research setting.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties have not been established for this research compound. As a laboratory chemical probe, it is not intended for in vivo use, and thus data on absorption, distribution, metabolism, and excretion (ADME) are not generally required or reported.
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| Toxicity/Toxicokinetics |
Toxicological and safety profiles for ERRalpha antagonist-1 are not documented. As a research chemical intended for in vitro use only, comprehensive toxicology studies are not performed. Standard safety precautions for handling fine chemicals apply.
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| References | |
| Additional Infomation |
See other relationships...
ERRalpha antagonist-1 is a pure research tool for studying the orphan nuclear receptor ERRalpha. It is valuable for investigating the role of ERRalpha in metabolic disorders, such as type 2 diabetes, and in cancer progression. Pending clinical trials, it is an important probe for defining the therapeutic potential of targeting ERRalpha. |
| Molecular Formula |
C21H19N3S2
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|---|---|
| Molecular Weight |
377.53
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| Exact Mass |
377.102
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| CAS # |
1072145-33-5
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| PubChem CID |
25015530
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| Appearance |
White to off-white solid powder
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| LogP |
4.14
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
26
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| Complexity |
588
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1CSC(=N1)N2CCSC2=NC3C4=CC=CC=C4C=CC5=CC=CC=C35
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| InChi Key |
OWLQZFQCFCNPKV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H19N3S2/c1-3-7-17-15(5-1)9-10-16-6-2-4-8-18(16)19(17)23-21-24(12-14-26-21)20-22-11-13-25-20/h1-10,19H,11-14H2
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| Chemical Name |
3-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-1,3-thiazolidin-2-imine
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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: 25 mg/mL (66.22 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (6.62 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.6488 mL | 13.2440 mL | 26.4880 mL | |
| 5 mM | 0.5298 mL | 2.6488 mL | 5.2976 mL | |
| 10 mM | 0.2649 mL | 1.3244 mL | 2.6488 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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