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Selenocystamine dihydrochloride (2,2'-diselenyldiethylbis(1-ethylamine) dihydrochloride)

Selenocystamine (diHCl) is a selenocysteine analogue.
Selenocystamine dihydrochloride (2,2'-diselenyldiethylbis(1-ethylamine) dihydrochloride)
Selenocystamine dihydrochloride (2,2'-diselenyldiethylbis(1-ethylamine) dihydrochloride) Chemical Structure CAS No.: 3542-13-0
Product category: Amino Acid Derivatives
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Selenocystamine (diHCl) is a selenocysteine analogue.
Selenocystamine dihydrochloride (CAS 3542-13-0), also known as 2,2'-diselenyldiethylbis(1-ethylamine) dihydrochloride, is a selenocysteine derivative and selenium-containing amino acid analogue. It has a molecular formula of C₄H₁₄Cl₂N₂Se₂ and molecular weight of 318.99 g/mol. The compound features a diselenide bond, which is the selenium analogue of cystamine (the oxidized form of cysteamine). Selenocystamine dihydrochloride is a selenocysteine derivative that can be used in the synthesis of other active compounds. It can also induce the aggregation of amphiphilic p-sulfonatocalixarene to form supramolecular nanoparticles. The product is for research use only and not for human therapeutic applications.
Biological Activity I Assay Protocols (From Reference)
Targets
As an amino acid derivative, Selenocystamine dihydrochloride does not have a defined primary drug target in the context of therapeutic development. However, as a selenium-containing compound, it may be used in research to study selenium biochemistry, redox biology, and antioxidant defense mechanisms. Selenium is an essential trace element that plays critical roles in antioxidant enzymes such as glutathione peroxidases and thioredoxin reductases. The diselenide bond in selenocystamine can participate in redox reactions, making it useful for studying oxidative stress and thiol-disulfide exchange reactions. The compound can also serve as a precursor for the synthesis of selenocysteine-containing peptides and other selenium-containing bioactive compounds.
ln Vitro
In vitro studies on selenium-containing amino acid derivatives have demonstrated their capacity to modulate redox balance, influence antioxidant enzyme activity, and affect cellular signaling pathways. Selenocystamine dihydrochloride can induce the aggregation of amphiphilic p-sulfonatocalixarene to form supramolecular nanoparticles, suggesting potential applications in drug delivery and nanomedicine. As a selenocysteine derivative, this compound may be used in cell-based assays to investigate selenium metabolism, redox signaling, and the effects of selenium supplementation on cellular function. The compound can also be utilized in studies examining the role of selenium in cancer prevention and treatment.
ln Vivo
In vivo studies on selenium-containing compounds have shown that selenium plays critical roles in antioxidant defense, thyroid hormone metabolism, and immune function. Selenocystamine dihydrochloride may be administered in animal studies to evaluate the effects of selenium supplementation or to study the pharmacokinetics and bioavailability of selenium-containing compounds. However, specific in vivo pharmacological data for this exact compound remains limited, as it is primarily supplied as a research chemical for synthesis and supramolecular chemistry applications. The compound's diselenide bond may be reduced in vivo to release selenocysteine or other selenium metabolites.
Enzyme Assay
Non-cell-based enzyme or receptor binding assays for this compound typically involve redox chemistry studies using purified enzymes such as thioredoxin reductase or glutathione peroxidase. Standard protocols include incubating varying concentrations of the test compound with the enzyme source in appropriate buffer systems, followed by measurement of enzymatic activity using spectrophotometric or fluorometric detection methods. The diselenide bond can participate in thiol-diselenide exchange reactions with thiol-containing compounds, which can be monitored using Ellman's reagent or other thiol detection methods. For supramolecular chemistry applications, the compound's ability to induce nanoparticle formation can be studied using dynamic light scattering (DLS) or transmission electron microscopy (TEM).
Cell Assay
Cell-based assays for this selenocysteine derivative typically utilize mammalian cell lines to evaluate compound uptake, cytotoxicity, and effects on cellular redox status. Standard protocols involve culturing cells in appropriate media at 37°C in 5% CO₂, followed by treatment with varying concentrations of the compound (typically 0.1-100 μM) for 24-72 hours. Cell viability is assessed using MTT or CCK-8 assays. The compound's effects on cellular glutathione levels and oxidative stress markers can be measured using fluorometric or colorimetric assays. For nanoparticle formation studies, cells may be treated with selenocystamine-induced nanoparticles to evaluate uptake and biological effects. All experiments should include appropriate vehicle controls and replicate measurements.
Animal Protocol
In vivo animal studies for selenium-containing compounds typically involve administration via oral gavage, intraperitoneal injection, or intravenous injection in rodent models (mice or rats). Standard protocols include dosing at ranges of 1-10 mg/kg body weight (selenium compounds often have narrow therapeutic windows), with observations over 1-14 days depending on the study objectives. For studies evaluating the effects of selenium supplementation, animals may be administered the compound and monitored for changes in antioxidant enzyme activity, immune function, or thyroid hormone levels. Pharmacodynamic assessments may include blood sampling for selenium analysis, tissue collection for histopathological examination, and monitoring of body weight and general health parameters. All animal studies must comply with institutional ethical guidelines.
ADME/Pharmacokinetics
Pharmacokinetic properties for this selenium-containing compound can be inferred from structurally related selenium compounds. As a small molecule (molecular weight 318.99 g/mol), it is expected to be absorbed and distributed throughout body compartments. The diselenide bond is likely to be reduced in vivo to release selenocysteine or other selenium metabolites that can be incorporated into selenoproteins. The compound shows moderate solubility in DMSO (100 mg/mL) and can be formulated for in vitro studies. For in vivo administration, formulations using 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline may be employed. The compound should be stored as powder at -20°C for long-term preservation, protected from moisture. Definitive PK parameters require formal studies.
Toxicity/Toxicokinetics
Toxicological data for this specific compound are limited as it is supplied for research use only. Selenium compounds can have narrow therapeutic windows, with both deficiency and excess causing adverse effects. Appropriate safety precautions should be observed during handling, including the use of personal protective equipment and work in well-ventilated areas. The compound may cause skin and eye irritation upon contact. Acute toxicity studies in animal models would be required to establish LD₅₀ values and no-observed-adverse-effect levels (NOAEL). For in vitro cytotoxicity assessment, the compound can be tested in mammalian cell lines using standard MTT or LDH release assays. The compound's redox activity may contribute to both beneficial antioxidant effects and potential pro-oxidant toxicity at high concentrations.
Additional Infomation
Selenocystamine dihydrochloride is a selenium-containing amino acid derivative featuring a diselenide bond, which is the selenium analogue of cystamine. Selenium is an essential trace element that plays critical roles in antioxidant enzymes such as glutathione peroxidases and thioredoxin reductases. This compound can be used in the synthesis of other active compounds and can induce the aggregation of amphiphilic p-sulfonatocalixarene to form supramolecular nanoparticles, suggesting potential applications in drug delivery and nanomedicine. The diselenide bond allows the compound to participate in redox reactions, making it useful for studying oxidative stress and thiol-disulfide exchange. It is not an approved drug and has not undergone clinical trials; it is strictly for research purposes only.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C4H14CL2N2SE2
Molecular Weight
318.99
Exact Mass
319.886
CAS #
3542-13-0
PubChem CID
15565403
Appearance
Light brown to orange solid powder
Boiling Point
327.9ºC at 760mmHg
Flash Point
152.1ºC
LogP
2.068
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Heavy Atom Count
10
Complexity
37
Defined Atom Stereocenter Count
0
SMILES
[Se](C([H])([H])C([H])([H])N([H])[H])[Se]C([H])([H])C([H])([H])N([H])[H].Cl[H].Cl[H]
InChi Key
LACKHEAUUXZNBU-UHFFFAOYSA-N
InChi Code
InChI=1S/C4H12N2Se2.2ClH/c5-1-3-7-8-4-2-6;;/h1-6H2;2*1H
Chemical Name
2-(2-aminoethyldiselanyl)ethanamine;dihydrochloride
HS Tariff Code
2934.99.9001
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)
Solubility Data
Solubility (In Vitro)
DMSO: 100 mg/mL (313.49 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.84 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 (7.84 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 25.0 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.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (7.84 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 3.1349 mL 15.6745 mL 31.3489 mL
5 mM 0.6270 mL 3.1349 mL 6.2698 mL
10 mM 0.3135 mL 1.5674 mL 3.1349 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.

Calculator

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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