| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
THR-beta (thyroid hormone receptor beta). THR-beta agonist 5 (compound 54) is a potent and selective agonist of the thyroid hormone receptor beta. By activating THR-beta, the compound can modulate gene expression involved in lipid metabolism, cholesterol homeostasis, and metabolic rate. THR-beta agonists have potential therapeutic applications in metabolic disorders such as non-alcoholic steatohepatitis (NASH), dyslipidemia, and obesity, offering benefits without the cardiac side effects associated with THR-alpha activation.
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| ln Vitro |
THR-beta agonist 5 is a potent THR-beta agonist with an EC50 of less than 50 nM. The compound is likely selective for THR-beta over THR-alpha, though this information is not explicitly stated in the reference sources. Its potency in the low nanomolar range suggests high-affinity binding to the THR-beta receptor and strong transcriptional activation activity in THR-beta-responsive reporter assays.
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| ln Vivo |
No in vivo activity data for THR-beta agonist 5 are provided in the reference sources. As a THR-beta agonist, in vivo studies would likely involve rodent models of hypercholesterolemia, NASH, or obesity, with the compound administered orally to evaluate effects on serum lipids, liver steatosis, glucose metabolism, and body weight.
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| Enzyme Assay |
Not explicitly detailed in reference sources. A typical THR-beta agonist binding assay involves incubating recombinant THR-beta ligand-binding domain with radiolabeled triiodothyronine (T3) and varying concentrations of THR-beta agonist 5. After incubation, bound and free ligands are separated (e.g., by charcoal adsorption), and radioactivity is counted. Alternatively, a FRET-based competitive binding assay can be used.
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| Cell Assay |
A cell-based THR-beta activation assay typically uses HEK293 or other cells transfected with a THR-beta expression plasmid and a thyroid hormone response element (TRE)-driven luciferase reporter construct. Cells are treated with THR-beta agonist 5 at various concentrations (0.1-1000 nM) for 24 hours, and luciferase activity is measured to determine the EC50 for transcriptional activation.
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| Animal Protocol |
No in vivo animal experimental protocols for THR-beta agonist 5 are provided in the reference sources. A typical efficacy study for a THR-beta agonist would use high-fat diet-fed mice with features of NASH or dyslipidemia. The compound would be administered orally daily for 4-8 weeks, and endpoints would include serum lipid profile, hepatic triglycerides, liver histology, and glucose tolerance.
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| ADME/Pharmacokinetics |
THR-beta agonist 5 has a molecular weight of 389.45 and formula C22H23N5O2. It is soluble in DMSO (≥100 mg/mL, 256.77 mM). Storage should be at 4degC in a sealed container, protected from moisture and light. For in vivo formulation, a 10% DMSO + 40% PEG300 + 5% Tween80 + 45% saline co-solvent system may be used.
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| Toxicity/Toxicokinetics |
No toxicity data for THR-beta agonist 5 are provided in the reference sources. As with all research compounds, standard safety precautions should be followed. THR-beta agonists in general may have potential for cardiac effects if they cross-activate THR-alpha, but selective THR-beta agonists are designed to minimize this risk. THR-beta agonist 5 is for research use only.
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| References | |
| Additional Infomation |
THR-beta agonist 5 is a research compound not yet approved for clinical use. It is a tool for studying THR-beta-mediated metabolic regulation. Selective THR-beta agonists represent a therapeutic class for NASH and dyslipidemia, with several compounds (e.g., resmetirom) having entered clinical trials. Further studies are needed to characterize the selectivity and in vivo efficacy of this compound.
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| Molecular Formula |
C22H23N5O2
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|---|---|
| Molecular Weight |
389.45
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| Exact Mass |
389.185
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| CAS # |
2542029-74-1
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| PubChem CID |
155268510
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
3.8
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
29
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| Complexity |
654
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC(=CC(=C1CC2=NC3=C(C=C2)NC=C3C(C)C)C)N4C(=O)NC(=O)C=N4
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| InChi Key |
CWCCBORCBHQGNG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H23N5O2/c1-12(2)18-10-23-19-6-5-15(25-21(18)19)9-17-13(3)7-16(8-14(17)4)27-22(29)26-20(28)11-24-27/h5-8,10-12,23H,9H2,1-4H3,(H,26,28,29)
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| Chemical Name |
2-[3,5-dimethyl-4-[(3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)methyl]phenyl]-1,2,4-triazine-3,5-dione
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 (~256.77 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 | 2.5677 mL | 12.8386 mL | 25.6772 mL | |
| 5 mM | 0.5135 mL | 2.5677 mL | 5.1354 mL | |
| 10 mM | 0.2568 mL | 1.2839 mL | 2.5677 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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