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| Other Sizes |
| Targets |
As an amino acid derivative, L-Cysteine ethyl ester HCl does not have a defined primary drug target. Its role is as a synthetic intermediate in peptide synthesis and as a cysteine prodrug. The enhanced lipophilicity of the ethyl ester allows for improved cellular uptake, where it can be hydrolyzed to release L-cysteine. L-cysteine is a precursor for glutathione synthesis and is involved in various metabolic pathways. However, the ester itself is not known to directly bind to or modulate any specific protein.
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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].
In vitro activity of L-Cysteine ethyl ester HCl is related to its role as a cysteine prodrug. It can be taken up by cells and hydrolyzed to release L-cysteine, which can then be used for glutathione synthesis or other metabolic processes. As an amino acid derivative, it may also influence the release of anabolic hormones and fuel availability. However, the specific in vitro activity of the ethyl ester has not been extensively characterized beyond its utility as a synthetic intermediate and a cysteine source. |
| ln Vivo |
There is no reported in vivo activity for L-Cysteine ethyl ester HCl as a drug substance. The compound is used primarily as a research chemical and a synthetic intermediate. Its enhanced lipophilicity suggests it may have better oral bioavailability than L-cysteine, but detailed in vivo studies are not extensively available. It may be used in animal studies to investigate cysteine metabolism or as a nutritional supplement.
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| Enzyme Assay |
In vitro enzyme assays could be used to study the hydrolysis of L-Cysteine ethyl ester HCl by esterases. In such an assay, the compound is incubated with a tissue homogenate or purified esterase, and the release of ethanol or L-cysteine is monitored. This assay would help elucidate the compound's metabolism and its potential as a cysteine prodrug.
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| Cell Assay |
Cell-based assays for L-Cysteine ethyl ester HCl could involve measuring its effects on cellular glutathione levels. For example, cultured cells could be treated with the compound, and intracellular glutathione levels could be measured using a standard assay such as the DTNB-based method. This assay would assess the compound's ability to increase cellular cysteine and glutathione levels.
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| Animal Protocol |
In vivo animal experiments for L-Cysteine ethyl ester HCl could involve studying its effects on glutathione levels in various tissues. For example, mice could be administered the compound orally or intraperitoneally, and tissue glutathione levels could be measured at various time points. This experiment would provide information on the compound's bioavailability and its ability to modulate glutathione status in vivo.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of L-Cysteine ethyl ester HCl have been studied to some extent. The ethyl ester enhances lipophilicity, which is expected to improve oral absorption and cellular uptake compared to L-cysteine. Once absorbed, the ester is likely hydrolyzed by esterases to release L-cysteine. However, detailed ADME data, including half-life and bioavailability, are not extensively available.
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| Toxicity/Toxicokinetics |
The toxicity profile of L-Cysteine ethyl ester HCl is generally considered to be low, as it is a derivative of a naturally occurring amino acid. However, high doses of cysteine can be toxic. The compound is classified for research use only and is not intended for human or veterinary use. Standard laboratory safety precautions should be followed when handling this compound. Specific toxicological information is not extensively available.
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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):1793-807.
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| Additional Infomation |
Ethyl L-cysteine hydrochloride is an α-amino acid ester.
L-Cysteine ethyl ester HCl is a cysteine derivative used as a building block in peptide synthesis and as a cysteine prodrug. It is not a drug and has no approved therapeutic indications or clinical trial history. The compound is commercially available from various chemical suppliers for research purposes only. Its primary applications are in peptide synthesis and in studies of cysteine metabolism and glutathione biology. |
| Molecular Formula |
C5H12CLNO2S
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|---|---|
| Molecular Weight |
185.67
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| Exact Mass |
185.027
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| CAS # |
868-59-7
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| PubChem CID |
2723617
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.391 g/cm3
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| Boiling Point |
205.9ºC at 760 mmHg
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| Melting Point |
123-125 °C(lit.)
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| Flash Point |
78.3ºC
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| Index of Refraction |
-11.5 ° (C=8, 1mol/L HCl)
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| LogP |
1.308
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
10
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| Complexity |
97
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CCOC(=O)[C@H](CS)N.Cl
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| InChi Key |
JFKJWWJOCJHMGV-WCCKRBBISA-N
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| InChi Code |
InChI=1S/C5H11NO2S.ClH/c1-2-8-5(7)4(6)3-9;/h4,9H,2-3,6H2,1H3;1H/t4-;/m0./s1
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| Chemical Name |
ethyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride
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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 (538.59 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 | 5.3859 mL | 26.9295 mL | 53.8590 mL | |
| 5 mM | 1.0772 mL | 5.3859 mL | 10.7718 mL | |
| 10 mM | 0.5386 mL | 2.6929 mL | 5.3859 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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