| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
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| 500mg |
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| 1g | |||
| Other Sizes |
| Targets |
As a derivative of vitamin B1, thiamine disulfide dinitrate may interact with thiamine-dependent enzymes such as transketolase, pyruvate dehydrogenase, and alpha-ketoglutarate dehydrogenase in biochemical assays. The compound serves as a source of thiamine in cell culture and animal studies. No specific primary drug target has been identified for this reagent; its applications are primarily as a nutritional supplement in research media rather than as a targeted pharmacological agent.
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| ln Vitro |
No specific in vitro pharmacological activity data are available for thiamine disulfide dinitrate as a drug candidate. In biochemical research, the compound is used as a reagent for sulfonylation reactions and as a biomaterial for cell culture supplementation. It can be dissolved in DMSO for preparation of stock solutions and tested in various in vitro assay systems at concentrations determined by the specific experimental design.
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| ln Vivo |
No specific in vivo pharmacological activity data are documented for this compound as a therapeutic agent. The reagent is used in animal research primarily as a nutritional supplement or formulation component. For in vivo administration, common formulations include DMSO:PEG300:Tween 80:saline mixtures or DMSO:Tween 80:saline combinations for injection. Dosing regimens are determined based on the specific research objectives.
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| Enzyme Assay |
For non-cellular enzyme or receptor binding assays, thiamine disulfide dinitrate can be evaluated for its ability to serve as a substrate or cofactor for thiamine-dependent enzymes. Typical protocols involve incubating the compound with enzyme preparations (e.g., transketolase or pyruvate dehydrogenase) in appropriate buffer systems at physiological pH and temperature, followed by spectrophotometric or chromatographic detection of reaction products. Reference protocols should be established based on the specific enzyme system under investigation.
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| Cell Assay |
For in vitro cell-based studies, thiamine disulfide dinitrate is typically dissolved in DMSO to prepare a stock solution, then diluted in cell culture medium to working concentrations. Cells are cultured under standard conditions (37°C, 5% CO2) and treated with the compound for various time points. Cell viability, proliferation, or specific biochemical markers can be assessed using standard assays such as MTT, flow cytometry, or ELISA. Appropriate solvent controls should be included to account for DMSO effects.
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| Animal Protocol |
For in vivo animal studies, thiamine disulfide dinitrate can be administered via intravenous, intraperitoneal, intramuscular, or subcutaneous injection using formulations such as DMSO:Tween 80:saline (10:5:85) or DMSO:PEG300:Tween 80:saline (10:40:5:45). The compound is stable at room temperature for several days during shipping. Dosing solutions should be freshly prepared and administered according to the specific experimental protocol, with appropriate vehicle control groups included.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of thiamine disulfide dinitrate have not been systematically characterized as a drug candidate. As a thiamine derivative, it is expected to be absorbed and distributed similarly to other vitamin B1 analogs. The compound should be stored as powder at -20°C for up to 3 years or at 4°C for up to 2 years; in solvent, it is stable at -80°C for 6 months or at -20°C for 1 month. Solubility may vary; DMSO is typically recommended as the primary solvent.
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| Toxicity/Toxicokinetics |
Toxicological data for thiamine disulfide dinitrate are limited as it is a research reagent rather than a pharmaceutical drug. The compound is intended for research use only and is not for human or therapeutic use. Standard laboratory safety practices should be followed when handling this chemical. As a derivative of vitamin B1, it is expected to have low inherent toxicity, but specific LD50 values and detailed toxicological profiles have not been established in the literature.
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| Additional Infomation |
Thiamine disulfide dinitrate (CAS 109125-52-2) is primarily a biochemical assay reagent and organic synthesis intermediate. It functions as a sulfonylation reagent in drug discovery and as a biomaterial for life science research. The compound is a disulfide-linked dimer of thiamine nitrate and is supplied in various pack sizes for research applications. No clinical trials or regulatory approvals for human use exist, as this product is exclusively for research purposes. Storage recommendations include protection from moisture and light.
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| Molecular Formula |
C24H36N10O10S2
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|---|---|
| Molecular Weight |
688.7336
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| Exact Mass |
688.205
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| CAS # |
109125-52-2
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| PubChem CID |
44630506
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| Appearance |
Typically exists as solid at room temperature
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| Hydrogen Bond Donor Count |
6
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| Hydrogen Bond Acceptor Count |
18
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| Rotatable Bond Count |
13
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| Heavy Atom Count |
46
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| Complexity |
792
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=NC=C(C(=N1)N)CN(/C(=C(\SS/C(=C(\N(C=O)CC2=CN=C(N=C2N)C)/C)/CCO)/CCO)/C)C=O.[N+](=O)([O-])O.[N+](=O)([O-])O
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| InChi Key |
MSVPLGIAUQGBIU-PAAHXCEKSA-N
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| InChi Code |
InChI=1S/C24H34N8O4S2.2HNO3/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26;2*2-1(3)4/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30);2*(H,2,3,4)/b21-15-,22-16-;;
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| Chemical Name |
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide;nitric 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 |
| 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 | 1.4519 mL | 7.2597 mL | 14.5195 mL | |
| 5 mM | 0.2904 mL | 1.4519 mL | 2.9039 mL | |
| 10 mM | 0.1452 mL | 0.7260 mL | 1.4519 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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