| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
ERRα (IC50 = 0.04 μM); ERRγ (IC50 = 2.8 μM)
E3 ligase Ligand 5 targets the estrogen-related receptor α (ERRα), an orphan nuclear receptor involved in energy metabolism and cancer. It is an antagonist of ERRα with an IC₅₀ of 0.04 μM, and it also inhibits ERRγ with an IC₅₀ of 2.8 μM. As an E3 ligase ligand, it can recruit an E3 ubiquitin ligase to a target protein when incorporated into a PROTAC. |
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| ln Vitro |
In vitro, E3 ligase Ligand 5 is an ERRα antagonist with an IC₅₀ of 0.04 μM. It also inhibits ERRγ with an IC₅₀ of 2.8 μM. Its activity as an E3 ligase ligand is defined by its ability to engage an E3 ubiquitin ligase for PROTAC applications.
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| ln Vivo |
E3 ligase Ligand 5 is not a therapeutic agent and does not have direct in vivo pharmacological activity. It is not administered to animals for therapeutic purposes. Its in vivo effects are determined by the PROTAC molecules that incorporate this ligand.
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| Enzyme Assay |
In vitro ERRα binding assays for E3 ligase Ligand 5 are performed using purified recombinant ERRα protein or cell lysates expressing ERRα. Radioligand binding studies or fluorescence polarization assays are used to measure the binding affinity of the compound to ERRα. IC₅₀ values are calculated from competition binding curves.
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| Cell Assay |
In vitro cell-based assays for E3 ligase Ligand 5 are performed using cell lines expressing ERRα. Cells are cultured in appropriate media and treated with E3 ligase Ligand 5 at various concentrations. ERRα transcriptional activity is assessed using reporter gene assays. Cell viability is measured by MTT assays.
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| Animal Protocol |
In vivo animal studies for E3 ligase Ligand 5 are conducted using the PROTAC molecules that incorporate this ligand, rather than the ligand alone. Typical protocols involve administering the PROTAC to mice via intravenous, intraperitoneal, or oral routes. Target protein degradation is assessed in tissues by Western blot.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic properties of E3 ligase Ligand 5 are not extensively characterized, as it is a research tool rather than a therapeutic agent. It is soluble in DMSO and is typically formulated for in vivo administration as part of a PROTAC.
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| Toxicity/Toxicokinetics |
Comprehensive toxicological data for E3 ligase Ligand 5 are not widely available in public literature. As a research compound, it is intended for laboratory use only and is not for human therapeutic use. Standard safety precautions should be followed when handling this compound. It is supplied with a purity of ≥98%.
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| References | |
| Additional Infomation |
E3 ligase Ligand 5 is a ligand for E3 ubiquitin ligases used in PROTAC technology. It is also an ERRα antagonist with an IC₅₀ of 0.04 μM. It is extracted from patent US 20160058872A1. This product is for research use only.
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| Molecular Formula |
C₁₉H₁₁F₃N₂O₄S
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|---|---|---|
| Molecular Weight |
420.36
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| Exact Mass |
420.039
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| Elemental Analysis |
54.29; H, 2.64; F, 13.56; N, 6.66; O, 15.22; S, 7.63
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| CAS # |
1264754-13-3
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| Related CAS # |
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| PubChem CID |
46916268
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| Appearance |
Light yellow to green yellow solid powder
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| Density |
1.5±0.1 g/cm3
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| Index of Refraction |
1.628
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| LogP |
3.35
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
29
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| Complexity |
733
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(#N)C1=CC=C(OC2=CC=C(/C=C3\SC(=O)NC\3=O)C=C2OC)C(C(F)(F)F)=C1
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| InChi Key |
OBBIOCQFTMNSJI-PXNMLYILSA-N
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| InChi Code |
InChI=1S/C19H11F3N2O4S/c1-27-15-7-10(8-16-17(25)24-18(26)29-16)2-5-14(15)28-13-4-3-11(9-23)6-12(13)19(20,21)22/h2-8H,1H3,(H,24,25,26)/b16-8-
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| Chemical Name |
4-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-3-(trifluoromethyl)benzonitrile
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| Synonyms |
E3 ligase Ligand 5; E3L 4133; E3L4133; E3L-4133
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.95 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3789 mL | 11.8946 mL | 23.7891 mL | |
| 5 mM | 0.4758 mL | 2.3789 mL | 4.7578 mL | |
| 10 mM | 0.2379 mL | 1.1895 mL | 2.3789 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.
Products are for research use only; We do not sell to patients
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