| Size | Price | Stock | Qty |
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| 25g |
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| 50g |
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| Other Sizes |
| Targets |
(S)-2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid dihydrate is a substrate for thyroid peroxidase (TPO) and participates in thyroid hormone synthesis. In thyroid follicular cells, DIT residues on thyroglobulin undergo coupling reactions to form triiodothyronine (T3) and thyroxine (T4). No direct pharmacological target has been identified for the free amino acid form. It also serves as a marker of iodine status and thyroid function.
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| ln Vitro |
In vitro, 3,5-diiodo-L-tyrosine is used as a substrate to study thyroid peroxidase (TPO) activity. The compound can be radiolabeled to trace iodination reactions and hormone synthesis. In cell culture, it may be added to thyroid cell lines to study the coupling reaction and the formation of thyroid hormones. As an endogenous metabolite standard, it is used for LC-MS quantification in thyroid tissue and serum samples.
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| ln Vivo |
In vivo, 3,5-diiodo-L-tyrosine is an intermediate in the biosynthesis of thyroid hormones T3 and T4 within the thyroid gland. It is not administered as a therapeutic agent. Plasma DIT levels are very low under normal conditions, but may increase in disorders of thyroid hormone metabolism or in certain types of thyroid cancer. The compound is used as a biomarker in research studies on thyroid function and iodine metabolism.
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| Enzyme Assay |
For in vitro enzyme assays using TPO, the enzyme is incubated with (S)-2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid dihydrate as a substrate. The compound is dissolved in an appropriate buffer (e.g., sodium phosphate buffer, pH 7.4) containing iodide and hydrogen peroxide. The reaction is carried out at 37degC for specified durations (e.g., 15-60 minutes). Products of the coupling reaction (T3, T4) are analyzed by HPLC, LC-MS, or by measuring protein-bound radioactivity if radiolabeled substrate is used.
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| Cell Assay |
For cell-based studies, thyroid follicular cell lines (e.g., FRTL-5, Nthy-ori 3-1) are cultured in Coon‘s modified Ham's F-12 medium supplemented with thyroid-stimulating hormone (TSH), insulin, transferrin, and other growth factors. Cells are treated with (S)-2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid dihydrate (e.g., 1-100 microM) for 0-48 hours. TPO activity and thyroid hormone synthesis are measured by LC-MS/MS of T3 and T4 in cell lysates and culture medium.
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| Animal Protocol |
For in vivo studies, (S)-2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid dihydrate is used as a research tool to study iodine-deficient or iodine-excess conditions in rodent models. Animals may be fed iodine-deficient diets, and the compound can be administered via the diet or by injection. Thyroid glands are collected, and thyroglobulin content and DIT/MIT ratios are analyzed by HPLC after hydrolysis to assess iodine sufficiency and thyroid function. No standard dosing protocol exists.
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| ADME/Pharmacokinetics |
(S)-2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid dihydrate is an endogenous metabolite and not a drug; no PK parameters have been established. As a free amino acid, it would be expected to be absorbed from the gastrointestinal tract, distributed via the circulation, and taken up by the thyroid gland. However, in normal physiology, DIT exists primarily as thyroglobulin-bound residues in the thyroid, not as a circulating free amino acid. Free DIT has a short plasma half-life and is rapidly deiodinated or excreted in urine.
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| Toxicity/Toxicokinetics |
3,5-Diiodo-L-tyrosine has low toxicity as an endogenous intermediate. The iodinated tyrosine is a natural component of thyroglobulin. As a research chemical, no specific acute toxicity data is reported. The compound may cause skin and eye irritation. Standard laboratory safety precautions (gloves, safety glasses, fume hood) should be followed. The LD50 has not been formally determined. Not intended for human consumption. Thyroid-related effects would only occur at supraphysiological doses with iodine release.
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| Additional Infomation |
This compound is not a drug but an endogenous metabolite and research reagent. It has no approved therapeutic status, no clinical trial history, and is not intended for human consumption. It is used as a research chemical for studying thyroid hormone biosynthesis, iodine metabolism, and thyroid function, and as an endogenous metabolite standard for analytical applications (HPLC, LC-MS). Also known as 3,5-diiodotyrosine, iodogorgoic acid, jodgorgon, and apothyrin. Available with ≥98% purity.
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| Molecular Formula |
C9H13I2NO5
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|---|---|
| Molecular Weight |
469.01
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| Exact Mass |
468.888
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| CAS # |
18835-59-1
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| PubChem CID |
2724330
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| Appearance |
White to light brown solid powder
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| Density |
2.405g/cm3
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| Boiling Point |
410.5ºC at 760mmHg
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| Melting Point |
185ºC
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| Flash Point |
202.1ºC
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| Vapour Pressure |
1.78E-07mmHg at 25°C
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| LogP |
2.127
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
17
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| Complexity |
227
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)O)N.O.O
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| InChi Key |
YWAGQOOMOOUEGY-KLXURFKVSA-N
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| InChi Code |
InChI=1S/C9H9I2NO3.2H2O/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15;;/h1-2,7,13H,3,12H2,(H,14,15);2*1H2/t7-;;/m0../s1
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| Chemical Name |
(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid;dihydrate
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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 (213.22 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.43 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 (4.43 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (4.43 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1322 mL | 10.6608 mL | 21.3215 mL | |
| 5 mM | 0.4264 mL | 2.1322 mL | 4.2643 mL | |
| 10 mM | 0.2132 mL | 1.0661 mL | 2.1322 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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