| Size | Price | Stock | Qty |
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| 5mg |
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| Targets |
PROTAC ERRα ligand 2 targets the estrogen-related receptor α (ERRα). It acts as an inverse agonist, but as a PROTAC ligand, its intended function is to recruit an E3 ubiquitin ligase to ERRα, leading to its ubiquitination and degradation.
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| ln Vitro |
In cell-free systems, the binding affinity of PROTAC ERRα ligand 2 to ERRα is measured. This is typically done using a TR-FRET assay. The compound's ability to bind to ERRα is determined, and its IC50 is calculated. In vitro, PROTAC ERRα ligand 2 has been shown to inhibit ERRα activity. It is about 11 times more potent than the reference compound XCT790 (IC50 = 61.3 nM). Its primary effect is expected to be the degradation of ERRα protein.
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| ln Vivo |
In vivo, the activity of PROTAC ERRα ligand 2 is expected to be similar to that of other ERRα inverse agonists, but with the added effect of protein degradation. Its in vivo efficacy and pharmacokinetics are not well-documented in the provided search results.
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| Enzyme Assay |
The binding affinity of PROTAC ERRα ligand 2 to ERRα is measured in a cell-free TR-FRET (Time-Resolved Fluorescence Resonance Energy Transfer) assay. The compound's ability to displace a labeled ligand from ERRα is quantified.
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| Cell Assay |
Cells are treated with PROTAC ERRα ligand 2. The degradation of ERRα protein is assessed by Western blot. Its effects on ERRα target gene expression are measured by qPCR. Its activity is compared to that of XCT790.
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| Animal Protocol |
In vivo studies are not described in the provided search results. If conducted, they would likely involve animal models to study the effects of ERRα degradation on metabolism, cancer, or other ERRα-related pathways.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of PROTAC ERRα ligand 2 are not reported in the provided search results. As a PROTAC molecule, its properties may be complex and require optimization for in vivo use.
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| Toxicity/Toxicokinetics |
Toxicological data for PROTAC ERRα ligand 2 is not available in the provided search results. As a research compound, its safety profile is not well-established. It is intended for research use only.
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| References | |
| Additional Infomation |
PROTAC ERRα ligand 2 is a research tool for studying ERRα biology. It is a valuable compound for investigating the role of ERRα in various diseases. It is not an approved drug and is for research use only.
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| Molecular Formula |
C20H13F6NO4
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|---|---|
| Molecular Weight |
445.311946630478
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| Exact Mass |
445.07
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| Elemental Analysis |
C, 53.94; H, 2.94; F, 25.60; N, 3.15; O, 14.37
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| CAS # |
2306388-57-6
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| PubChem CID |
139291005
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
5
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
31
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| Complexity |
711
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)O)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F
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| InChi Key |
JRWKJGIKIBTXMV-AWNIVKPZSA-N
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| InChi Code |
InChI=1S/C20H13F6NO4/c1-30-17-7-11(6-13(9-27)18(28)29)2-5-16(17)31-10-12-3-4-14(19(21,22)23)8-15(12)20(24,25)26/h2-8H,10H2,1H3,(H,28,29)/b13-6+
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| Chemical Name |
(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoic acid
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| Synonyms |
PROTAC ERRα ligand 2; JAN88576; JAN-88576; JAN 88576;
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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 : ~62.5 mg/mL (~140.35 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.67 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 20.8 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: ≥ 2.08 mg/mL (4.67 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 20.8 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 | 2.2456 mL | 11.2281 mL | 22.4563 mL | |
| 5 mM | 0.4491 mL | 2.2456 mL | 4.4913 mL | |
| 10 mM | 0.2246 mL | 1.1228 mL | 2.2456 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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