| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
T4-ATA (S-isomer) targets the Thyroid Hormone Receptor (TR), specifically the TRalpha and TRbeta subtypes. As the biologically active S-isomer of the T4 analog, it binds to the ligand-binding pocket of the receptor, initiating a transcriptional cascade that regulates genes controlling basal metabolic rate, development, and cardiac function.
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|---|---|
| ln Vitro |
In vitro, the S-isomer is the biologically active configuration for TR binding. Studies on T4-ATA confirm that the S-enantiomer has a higher affinity and efficacy at TR compared to the R-isomer. It functions as a thyromimetic, offering a research tool to study receptor-mediated signaling pathways in a controlled manner.
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| ln Vivo |
In vivo data is not available for this specific isomer. As a thyroid hormone analog, the S-isomer of T4-ATA is expected to cross cell membranes and regulate systemic metabolic processes, but its specific properties as a research tool require further characterization.
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| Enzyme Assay |
Cell-free ligand-binding assays use purified thyroid hormone receptor (TRalpha and TRbeta). The receptor is incubated with a radiolabeled T3 tracer and varying concentrations of the T4-ATA (S-isomer) competitor. After equilibrium, bound and free ligands are separated, and the half-maximal inhibitory concentration (IC50) is calculated via scintillation counting.
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| Cell Assay |
Cellular assays are performed in cells expressing thyroid hormone receptors (e.g., HepG2, GH3 cells). Cells are treated with the compound for 24-48 hours. Activity is measured using a luciferase reporter gene driven by a thyroid hormone response element (TRE) or by measuring mRNA levels of T3-responsive genes like malic enzyme (ME) by qPCR.
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| Animal Protocol |
In vivo data is not available for this research compound. As a laboratory chemical for cell-based and in vitro 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 are not documented. As a laboratory chemical primarily for in vitro use, ADME (Absorption, Distribution, Metabolism, Excretion) data are not typically required or reported.
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| Toxicity/Toxicokinetics |
Toxicological and safety profiles have not been formally established. This compound is intended for research use only and is not for human consumption. Standard safety precautions for handling fine chemicals should be followed.
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| Additional Infomation |
T4-ATA (S-isomer) is the active S-enantiomer of the T4-ATA molecule, serving as a thyroid hormone receptor (TR) ligand. It is used as a pharmacological tool to understand the structural requirements for TR binding and to probe the differential roles of TRalpha vs. TRbeta in physiological and pathological processes such as lipid metabolism and heart function. It is for research use only.
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| Molecular Formula |
C19H15I4NO6S
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|---|---|
| Molecular Weight |
893.01
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| Exact Mass |
892.679
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| CAS # |
2448470-97-9
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| PubChem CID |
138377586
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| Appearance |
White to off-white solid powder
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| Density |
2.386±0.06 g/cm3(Predicted)
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| Boiling Point |
725.7±60.0 °C(Predicted)
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| LogP |
5.4
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
31
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| Complexity |
635
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(=O)SCC(=O)N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)O
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| InChi Key |
PKXLGQLIXYSSTB-HNNXBMFYSA-N
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| InChi Code |
InChI=1S/C19H15I4NO6S/c1-8(25)31-7-16(26)24-15(19(28)29)4-9-2-13(22)18(14(23)3-9)30-10-5-11(20)17(27)12(21)6-10/h2-3,5-6,15,27H,4,7H2,1H3,(H,24,26)(H,28,29)/t15-/m0/s1
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| Chemical Name |
(2S)-2-[(2-acetylsulfanylacetyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic 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: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 (111.98 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.80 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 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (2.80 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 25.0 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 | 1.1198 mL | 5.5990 mL | 11.1981 mL | |
| 5 mM | 0.2240 mL | 1.1198 mL | 2.2396 mL | |
| 10 mM | 0.1120 mL | 0.5599 mL | 1.1198 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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