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| Other Sizes |
| Targets |
Thiamine monophosphate chloride does not have a single specific biological target but is a metabolite of thiamine (vitamin B1). Thiamine and its phosphorylated derivatives are essential cofactors for various enzymes involved in carbohydrate metabolism, including pyruvate dehydrogenase and α-ketoglutarate dehydrogenase. As an endogenous metabolite, it is involved in energy metabolism and the regulation of metabolic pathways.
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| ln Vitro |
In vitro studies of thiamine monophosphate chloride typically involve its use as a reference standard in metabolomics research. It is used to study thiamine metabolism and the role of thiamine in energy metabolism. The compound may be used in enzymatic assays to study the activity of enzymes involved in thiamine phosphorylation and dephosphorylation. It is also used as a reference standard in analytical method development.
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| ln Vivo |
In vivo, thiamine monophosphate chloride is a metabolite of thiamine (vitamin B1). Thiamine is an essential nutrient that plays a crucial role in energy metabolism. Thiamine monophosphate is an intermediate in the conversion of thiamine to thiamine pyrophosphate, the active cofactor form of the vitamin. The compound is involved in carbohydrate metabolism and the regulation of metabolic pathways.
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| Enzyme Assay |
In vitro enzyme assays for thiamine monophosphate chloride typically involve studying its metabolism by enzymes such as thiamine monophosphatase and thiamine pyrophosphokinase. Enzyme activity assays can be performed to measure the conversion of thiamine monophosphate to thiamine or thiamine pyrophosphate. The compound may also be used in assays to study the activity of thiamine-dependent enzymes.
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| Cell Assay |
In vitro cell-based assays using thiamine monophosphate chloride may involve the treatment of cultured cells with the compound to study thiamine metabolism. Cells may be treated with the compound, and its effects on thiamine levels and energy metabolism are measured. The compound may also be used in studies of thiamine deficiency and related metabolic disorders.
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| ADME/Pharmacokinetics |
Thiamine monophosphate chloride (dihydrate) has a molecular formula of C12H22ClN4O6PS and a molecular weight of 416.82. The CAS number is 273724-21-3. The compound is an endogenously produced metabolite. It should be stored according to the manufacturer's recommendations. The compound is intended for research use only.
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| Toxicity/Toxicokinetics |
The toxicity profile of thiamine monophosphate chloride is not extensively characterized, as it is an endogenous metabolite. Thiamine (vitamin B1) is an essential nutrient that is generally recognized as safe. The compound is intended for research use only and is not approved for therapeutic use in humans. Standard laboratory safety practices should be followed when handling this compound.
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| Additional Infomation |
Thiamine dihydrophosphate. Thiamine monophosphate. Synonyms: thiamine monophosphate; vitamin B1 monophosphate.
See also: thiamine monophosphate (note moved to). Thiamine monophosphate chloride (dihydrate) (CAS 273724-21-3) is an endogenously produced metabolite. It is a phosphorylated derivative of thiamine (vitamin B1). It is used in the screening of ligands that promote protein stability and in analytical method development. It has a molecular formula of C12H22ClN4O6PS. The compound is intended for research use only. |
| Molecular Formula |
C12H22CLN4O6PS
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|---|---|
| Molecular Weight |
416.82
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| Exact Mass |
416.068
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| CAS # |
273724-21-3
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| PubChem CID |
91886578
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
25
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| Complexity |
413
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.O.O.[Cl-]
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| InChi Key |
FANVXQCOBPOPEG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H17N4O4PS.ClH.2H2O/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;;;/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);1H;2*1H2
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| Chemical Name |
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate;chloride;dihydrate
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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) |
H2O :~125 mg/mL (~299.89 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (239.91 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
(Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3991 mL | 11.9956 mL | 23.9912 mL | |
| 5 mM | 0.4798 mL | 2.3991 mL | 4.7982 mL | |
| 10 mM | 0.2399 mL | 1.1996 mL | 2.3991 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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