| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
This compound is classified as a cysteine derivative targeting sulfur-containing amino acid metabolism pathways. The Boc protecting group masks the amino functionality, allowing orthogonal deprotection strategies in solid-phase peptide synthesis. The butylthioether side chain provides a hydrophobic S-alkyl modification, enabling studies of protein alkylation, thiol redox biology, and enzyme interactions in research applications.
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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 studies on cysteine derivatives such as this compound demonstrate roles in cellular redox homeostasis, protection against oxidative stress, and modulation of enzyme activities that require free thiol groups. These compounds influence glutathione metabolism and protein folding pathways involving disulfide bond formation in cell-free biochemical systems. |
| ln Vivo |
In vivo data specific to this Boc-protected S-alkyl homocysteine derivative remain limited, as its primary application is as a synthetic intermediate. Related cysteine analogs have shown effects on methionine metabolism and transsulfuration pathways in rodent models when evaluated in pharmacokinetic and metabolic studies.
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| Enzyme Assay |
Cell-free enzyme assays for cysteine derivatives typically involve glutathione S-transferase (GST) or cysteine dioxygenase activity measurement. Compounds are incubated with purified enzyme and appropriate substrates, with reaction products analyzed by HPLC or mass spectrometry. For GST, 1-chloro-2,4-dinitrobenzene (CDNB) conjugation is monitored spectrophotometrically at 340 nm.
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| Cell Assay |
Cell-based assays for cysteine analogs use primary hepatocytes or neuronal cell lines. Cells are treated with compound (1-500 uM) for 2-24 hours, then intracellular glutathione levels are measured via Ellman‘s assay or monochlorobimane fluorescence. Cytotoxicity is assessed by MTT or LDH release, and oxidative stress markers are quantified using DCFH-DA fluorescence.
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| Animal Protocol |
Animal studies for cysteine derivatives are conducted in rodent models for pharmacokinetic evaluation. Compounds are administered intravenously (1-10 mg/kg) or orally (10-100 mg/kg) to Sprague-Dawley rats. Blood samples collected at 0-24 hours are analyzed by LC-MS/MS for parent compound and metabolite quantification to determine absorption and clearance.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of this compound likely include moderate oral bioavailability (20-50%), peak plasma concentration at 1-3 hours post-dose, plasma half-life 2-5 hours, volume of distribution 0.3-0.7 L/kg, plasma protein binding 60-85%, and elimination primarily via hepatic metabolism and renal excretion of hydrolyzed deprotected metabolites.
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| Toxicity/Toxicokinetics |
Toxicological evaluation of S-alkyl cysteine derivatives indicates low acute toxicity, with oral LD50 > 2000 mg/kg. The Boc protecting group may undergo acidic deprotection during metabolism, generating free amine and butylthiol derivatives. No significant genotoxicity or organ-specific toxicity has been reported for similar protected cysteine compounds.
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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 |
This compound has molecular formula C13H25NO4S and molecular weight 291.41, with purity ≥98%. It appears as a white to off-white solid powder, soluble in DMSO (≥150 mg/mL). Storage at 4degC protected from light is recommended. This cysteine derivative is intended for research use only in peptide synthesis and biochemical studies.
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| Molecular Formula |
C13H25NO4S
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|---|---|
| Molecular Weight |
291.41
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| Exact Mass |
291.15
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| CAS # |
1396969-20-2
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| PubChem CID |
46737347
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| Appearance |
White to off-white solid powder
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| LogP |
2.8
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
19
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| Complexity |
289
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(CCCC)CCC(C(=O)O)NC(=O)OC(C)(C)C
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| InChi Key |
LXZZDLUCLKSJJD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H25NO4S/c1-5-6-8-19-9-7-10(11(15)16)14-12(17)18-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17)(H,15,16)
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| Chemical Name |
4-butylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic 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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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: ≥ 250 mg/mL (857.90 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 | 3.4316 mL | 17.1580 mL | 34.3159 mL | |
| 5 mM | 0.6863 mL | 3.4316 mL | 6.8632 mL | |
| 10 mM | 0.3432 mL | 1.7158 mL | 3.4316 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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