| Size | Price | Stock | Qty |
|---|---|---|---|
| 100g |
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| Other Sizes |
| Targets |
Ac-Tyr-OEt.H2O does not have a specific biological target as a protected building block. However, tyrosine derivatives can interact with enzymes such as tyrosinases, protein tyrosine phosphatases (PTPs), kinases, and proteases (e.g., chymotrypsin). The N-acetyl group may inhibit N-terminal recognition. When deprotected to tyrosine, it can target dopamine synthesis pathways and thyroid hormone synthesis. The ethyl ester may be cleaved by esterases, releasing the free acid. It is classified as a Tyrosine derivative.
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|---|---|
| ln Vitro |
Commercial ergot supplements have been made from amino acids and their derivatives. They affect the release of anabolic hormones, the availability of fuel for activity, the ability to think clearly under pressure, and the prevention of muscular damage brought on by exertion. They are regarded as advantageous synergistic food ingredients [1].
Ac-Tyr-OEt.H2O has limited direct in vitro biological activity. It may be used as a substrate in enzyme assays to measure esterase activity (cleavage of ethyl ester) or amidase/deacetylase activity (removal of acetyl group). Proteases like chymotrypsin may cleave the amide bond of N-acetyl-tyrosine ethyl ester, producing N-acetyl-tyrosine and ethanol. However, no specific IC50 or EC50 data are available for this compound as an inhibitor. It is not cytotoxic at typical concentrations (≤100 uM). |
| ln Vivo |
No in vivo activity data are available for Ac-Tyr-OEt.H2O. It is not administered to animals for efficacy assessment. Tyrosine derivatives may be used in nutritional or metabolic studies, but no such data exist for this specific protected derivative.
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| Enzyme Assay |
The compound is not typically used in direct enzyme/receptor binding assays. For enzyme assays: Chymotrypsin activity can be measured using N-acetyl-L-tyrosine ethyl ester (Ac-Tyr-OEt) as a chromogenic substrate. A typical protocol: 100 uL of chymotrypsin (10-100 ng/mL) in 0.1 M Tris-HCl pH 7.8 is added to 96-well plates. Ac-Tyr-OEt.H2O (1 mM final) in 50% methanol is added. The increase in absorbance at 237 nm (due to product N-acetyl-L-tyrosine) is monitored for 5-10 minutes at 25degC. Activity is calculated using ε = 0.96 mM-¹ cm-¹. This is a standard assay for chymotrypsin.
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| Cell Assay |
Ac-Tyr-OEt.H2O is not used in cell-based assays as a test article. However, it could be added to cell culture (1-100 uM) to study cellular uptake and esterase activity. A typical protocol: HeLa or HEK293 cells are seeded in 12-well plates (2×10⁵ cells/well). Cells are treated with Ac-Tyr-OEt (10-100 uM) for 0-24 hours. Cell lysates and media are collected. Tyrosine and N-acetyltyrosine concentrations are measured by HPLC-MS/MS to assess esterase-mediated hydrolysis. No standard protocols.
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| Animal Protocol |
No animal studies have been conducted with Ac-Tyr-OEt.H2O as a test compound. For downstream applications, esterase activity in rodent tissues can be assessed ex vivo: Liver or intestinal homogenates (100 ug protein) are incubated with Ac-Tyr-OEt (500 uM) at 37degC for 30 minutes. The reaction is stopped with methanol, and product (tyrosine) is quantified by HPLC. The building block itself is not administered in vivo.
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| ADME/Pharmacokinetics |
No PK data are available for Ac-Tyr-OEt.H2O. It is not a drug candidate. If administered, the ethyl ester would be rapidly hydrolyzed by esterases in blood and liver, producing N-acetyltyrosine. N-acetyltyrosine would then be deacetylated (possibly by acylases) or excreted. Tyrosine is a normal amino acid; excess tyrosine is metabolized. No ADME studies (half-life, bioavailability) reported. Soluble in DMSO, ethanol, and moderately soluble in water (due to hydrate). Storage: powder at -20degC, stable for years. In solution at -20degC for months.
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| Toxicity/Toxicokinetics |
Safety: May cause skin and eye irritation. Harmful if swallowed (estimated LD50 >2000 mg/kg). Not classified as carcinogen or mutagen. Use standard PPE: gloves, lab coat, safety goggles. Avoid inhalation of dust. In case of contact, flush with water. Stable as a solid under dry conditions.
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| References |
[1]. Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-1144.
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| Additional Infomation |
ATEE is a tyrosine derivative.
Ac-Tyr-OEt.H2O is not a drug and has no clinical trial or regulatory approval status. It is a research chemical for peptide synthesis and enzymology. The compound is the classic chromogenic substrate for chymotrypsin and other serine proteases. The N-acetyl-tyrosine ethyl ester (ATEE) assay is a standard undergraduate biochemistry experiment for measuring protease activity. This compound also serves as a building block for synthesizing opioid peptides (e.g., enkephalin analogs) and other tyrosine-containing bioactive peptides. It is commercially available from chemical suppliers for research use only. |
| Molecular Formula |
C13H19NO5
|
|---|---|
| Molecular Weight |
269.29
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| Exact Mass |
251.115
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| CAS # |
36546-50-6
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| PubChem CID |
2723594
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
464.4±35.0 °C at 760 mmHg
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| Melting Point |
80-81 °C(lit.)
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| Flash Point |
234.6±25.9 °C
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| Vapour Pressure |
0.0±1.2 mmHg at 25°C
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| Index of Refraction |
1.534
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| LogP |
0.87
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
19
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| Complexity |
285
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O(C([H])([H])C([H])([H])[H])C([C@]([H])(C([H])([H])C1C([H])=C([H])C(=C([H])C=1[H])O[H])N([H])C(C([H])([H])[H])=O)=O.O([H])[H]
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| InChi Key |
YWAVLHZJMWEYTA-YDALLXLXSA-N
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| InChi Code |
InChI=1S/C13H17NO4.H2O/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10;/h4-7,12,16H,3,8H2,1-2H3,(H,14,15);1H2/t12-;/m0./s1
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| Chemical Name |
ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 3.7135 mL | 18.5673 mL | 37.1347 mL | |
| 5 mM | 0.7427 mL | 3.7135 mL | 7.4269 mL | |
| 10 mM | 0.3713 mL | 1.8567 mL | 3.7135 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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