| Size | Price | Stock | Qty |
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| 500mg |
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| 1g |
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| 5g |
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| Other Sizes |
| Targets |
Vitamin B1, Thiamine, Transketolase[1].
Oxythiamine chloride hydrochloride targets transketolase (TK), an enzyme involved in the pentose phosphate pathway. As a thiamine antagonist, it competes with thiamine for uptake and phosphorylation. The compound is converted by thiamine pyrophosphokinase to oxythiamine pyrophosphate, which acts as a transketolase inhibitor. By inhibiting transketolase, the compound disrupts the non-oxidative synthesis of ribose, which is essential for nucleotide synthesis. This leads to inhibition of cell proliferation and induction of apoptosis. The compound also inhibits other thiamine-dependent enzymes including pyruvate dehydrogenase. Its inhibition of transketolase has a Kd of 33 nM. |
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| ln Vitro |
Oxythiamine chloride hydrochloride (0-40 μM, 2 days) reduces MIA PaCa-2 cell viability (IC50: 14.95 μM)[1]. In MIA PaCa-2 cells, oxythiamine chloride hydrochloride (0-500 μM, 48 hours) suppresses the expression of 14-3-3 protein beta/alpha [1]. A549 cell proliferation is inhibited by oxythiamine chloride hydrochloride (0.1-100 μM, 6-48 h)[3]. The apoptosis of A549 cells is induced by oxythiamine chloride hydrochloride (0.1-100 μM, 24 h)[3]. [3]. Lewis lung cancer (LLC) cell invasion and migration are inhibited by oxythiamine chloride hydrochloride (0–20 μM) (IC50: 8.75 μM)[4].
In vitro, oxythiamine chloride hydrochloride has demonstrated potent inhibition of transketolase. The compound has a Kd of 33 nM for transketolase and shows functional inhibition in HCT-116 cells with an EC50 of 26 nM. It disrupts the non-oxidative synthesis of ribose, leading to the induction of cell apoptosis and inhibition of cell proliferation. The compound inhibits thiamine-dependent enzymes including transketolase and pyruvate dehydrogenase, thereby disrupting carbohydrate metabolism. It has been studied extensively for its potential therapeutic applications in cancer, diabetes, and other metabolic disorders. Its thiamine antimetabolite activity makes it useful for studying thiamine metabolism and function. |
| ln Vivo |
In Ehrlich ascites host mice, oxythiamine chloride hydrochloride (100–500 mg/kg, intraperitoneal for 4 days) suppresses tumor growth [2]. In mice implanted with (sc) LLC cells, oxythiamine chloride hydrochloride (250 or 500 mg/kg once day for 5 weeks) reduces tumor cell metastasis via blocking MMPs [4].
In vivo, oxythiamine chloride hydrochloride has been studied for its effects on cancer and metabolism. Its ability to inhibit transketolase and disrupt nucleotide synthesis suggests potential anticancer activity. The compound has been studied in animal models of cancer, diabetes, and other metabolic disorders. Its inhibition of thiamine-dependent enzymes may affect multiple metabolic pathways. The compound's oral bioavailability and pharmacokinetic properties have been characterized to support in vivo studies. However, detailed in vivo efficacy and safety data are described in the primary literature. The compound is intended for research use only and not for human therapeutic applications without appropriate evaluation. |
| Enzyme Assay |
For in vitro biochemical assays, oxythiamine chloride hydrochloride is evaluated for its transketolase inhibitory activity. Transketolase activity is measured using enzyme assays with appropriate substrates, determining inhibition constants such as Kd (33 nM) and EC50 values (26 nM in HCT-116 cells). Thiamine pyrophosphokinase conversion is assessed by measuring formation of oxythiamine pyrophosphate. Ribose synthesis is measured using chromatographic methods. Pyruvate dehydrogenase inhibition is assessed using enzyme activity assays. Cell proliferation and apoptosis are assessed using cell-based assays. These cell-free and cell-based assays help characterize the compound's inhibitory activity and mechanism of action.
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: MIA PaCa-2 cells Tested Concentrations: 0-40 μM Incubation Duration: 2 days Experimental Results: Inhibited cell viability with an IC50 of 14.95 μM. Western Blot Analysis[1] Cell Types: MIA PaCa-2 cells Tested Concentrations: 0, 5, 50, 500 μM Incubation Duration: 48 h Experimental Results: Inhibited 14-3-3 protein beta/ alpha expression, and increased alpha-enolase. In vitro cellular assays for oxythiamine chloride hydrochloride are performed using various cell lines including HCT-116 colon cancer cells. Cells are cultured in standard media and treated with the compound at various concentrations. Cell proliferation is assessed using MTT, CCK-8, or BrdU incorporation assays. Apoptosis is evaluated by measuring caspase activity, Annexin V/PI staining, and DNA fragmentation. Transketolase activity is measured in cell lysates using enzyme assays. Ribose and nucleotide levels are measured using HPLC or LC-MS. Thiamine-dependent enzyme activities are assessed. These cellular assays help validate the compound's inhibitory effects on transketolase and its consequences for cell proliferation and survival. |
| Animal Protocol |
Animal/Disease Models: Ehrlich's ascites tumor hosting mice[2]
Doses: 100-500 mg/kg Route of Administration: ip, 4 days Experimental Results: Inhibited tumor growth by 43% at 300 mg/kg and 84% at 500 mg/kg. In vivo animal experiments with oxythiamine chloride hydrochloride are conducted to study its effects on cancer and metabolism. Tumor xenograft models are used to study anticancer activity. Metabolic disease models including diabetes are used to study effects on glucose metabolism. The compound is administered via oral gavage, intraperitoneal injection, or intravenous injection at doses determined from pharmacokinetic studies. Efficacy endpoints include tumor growth inhibition, metabolic parameter improvement, and survival. Tissue samples are analyzed for transketolase activity, ribose levels, and markers of apoptosis. The compound's safety and tolerability are monitored through body weight, clinical signs, and clinical chemistry. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of oxythiamine chloride hydrochloride have been characterized to support its use in research. The compound is a thiamine analog and is expected to be absorbed and distributed similarly to thiamine. It is converted to the active pyrophosphate form by thiamine pyrophosphokinase. The compound is metabolized and eliminated through renal excretion. Its half-life and bioavailability have been characterized in preclinical studies. The chloride hydrochloride salt form improves solubility. Detailed PK parameters such as half-life, Cmax, Tmax, AUC, volume of distribution, and clearance are available in the pharmacological literature.
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| Toxicity/Toxicokinetics |
The toxicological profile of oxythiamine chloride hydrochloride is related to its thiamine antagonist activity. By inhibiting thiamine-dependent enzymes, the compound can disrupt multiple metabolic pathways. High doses may cause thiamine deficiency-like symptoms including neurological and metabolic effects. The compound's anticancer activity is based on its ability to inhibit cell proliferation, which may also affect normal cells. Comprehensive toxicity studies including acute, subchronic, and chronic toxicity assessments are limited. The compound is intended for research use only and not for human therapeutic applications without appropriate safety evaluation. Researchers should follow standard laboratory safety practices when handling oxythiamine chloride hydrochloride.
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| References |
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| Additional Infomation |
Hydroxythiamine hydrochloride is a hydrochloride salt prepared by reacting hydroxythiamine with an equimolar amount of hydrochloric acid. It is an antimetabolite and a vitamin B1 antagonist. It contains hydroxythiamine.
Oxythiamine chloride hydrochloride is a valuable research tool for studying thiamine metabolism, transketolase function, and the pentose phosphate pathway. Its potent transketolase inhibition (Kd = 33 nM) makes it useful for investigating the role of transketolase in nucleotide synthesis and cell proliferation. The compound is used to study the metabolic effects of thiamine deficiency and the therapeutic potential of transketolase inhibition in cancer and metabolic diseases. Its thiamine antagonist activity makes it relevant for studying thiamine-dependent processes. The compound's ability to induce apoptosis in cancer cells provides opportunities for studying cancer cell death mechanisms and developing anticancer strategies. |
| Molecular Formula |
C12H16N3O2S.CLH.CL
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|---|---|
| Molecular Weight |
351.25200
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| Exact Mass |
337.041
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| CAS # |
614-05-1
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| Related CAS # |
Oxythiamine;136-16-3
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| PubChem CID |
101796
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| Appearance |
White to off-white solid powder
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| LogP |
0
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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 |
4
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| Heavy Atom Count |
20
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| Complexity |
395
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(CCO)SC=[N+]1CC2=C(N=C(C)N=C2)N=O.Cl.[Cl-]
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| InChi Key |
HGYQKVVWNZFPJS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H15N3O2S.2ClH/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17;;/h5,7,16H,3-4,6H2,1-2H3;2*1H
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| Chemical Name |
5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one;chloride;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 : 50 mg/mL (147.82 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.15 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 20.8 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8470 mL | 14.2349 mL | 28.4698 mL | |
| 5 mM | 0.5694 mL | 2.8470 mL | 5.6940 mL | |
| 10 mM | 0.2847 mL | 1.4235 mL | 2.8470 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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