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| Targets |
Calcium 2-hydroxy-4-(methylthio)butanoate does not have a single specific biological target but is a methionine analog involved in amino acid metabolism. It is converted to methionine in the body and is involved in protein synthesis and various metabolic pathways. As an endogenous metabolite, it plays a role in nitrogen retention and growth. It may also interact with enzymes involved in the metabolism of methionine and other sulfur-containing amino acids.
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| ln Vitro |
In vitro studies of calcium 2-hydroxy-4-(methylthio)butanoate typically involve its use as a methionine source in cell culture and biochemical assays. It is used to study methionine metabolism and its role in protein synthesis. The compound may also be used in studies of nitrogen retention and amino acid metabolism. It serves as a reference standard in metabolomics research.
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| ln Vivo |
In vivo, calcium 2-hydroxy-4-(methylthio)butanoate is a methionine analog that is converted to methionine in the body. It is involved in nitrogen retention and promotes growth in animals. The compound is used in animal nutrition as a methionine source to improve growth performance and feed efficiency. It may also have applications in the study of amino acid metabolism and nitrogen balance.
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| Enzyme Assay |
In vitro enzyme assays for calcium 2-hydroxy-4-(methylthio)butanoate typically involve studying its conversion to methionine by enzymes such as 2-hydroxy-4-methylthiobutanoic acid dehydrogenase. Enzyme activity assays can be performed to measure the conversion of HMTBA to methionine. The compound may also be used in assays to study the metabolism of sulfur-containing amino acids.
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| Cell Assay |
In vitro cell-based assays using calcium 2-hydroxy-4-(methylthio)butanoate typically involve the treatment of cultured cells with the compound as a methionine source. Cells may be cultured in methionine-free medium supplemented with the compound to study methionine metabolism and its role in cell growth and protein synthesis. The compound may also be used in studies of amino acid transport and metabolism.
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| Animal Protocol |
In vivo animal studies using calcium 2-hydroxy-4-(methylthio)butanoate typically involve administration to animals to study its effects on growth performance, nitrogen retention, and amino acid metabolism. The compound is commonly used in poultry and livestock nutrition as a methionine source. Animal models may be used to study the bioavailability and efficacy of the compound as a methionine supplement.
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| ADME/Pharmacokinetics |
Metabolism / Metabolites
Chicken liver homogenate catalyzes the oxidation of 2-hydroxy-4-(meththio)butyric acid to ketomethionine. Both chicken and mouse liver supernatants can convert ketomethionine to hydroxy derivatives or methionine. In mouse tissues, the conversion of 2-hydroxy-4-meththiobutyric acid to methionine requires flavin coenzyme and glutamine. The conversion activity per gram of tissue in the kidneys is higher than that in the liver, brain, small intestine, and muscle, but the liver is the most important organ overall. Most of the conversion activity is located in the liver supernatant. Calcium 2-hydroxy-4-(methylthio)butanoate has a molecular formula of C10H18CaO6S2 and a molecular weight of 338.45. The CAS number is 4857-44-7. The compound has a purity of ≥99%. It is the calcium salt of 2-hydroxy-4-(methylthio)butyric acid (HMTBA). The compound is intended for research and agricultural use only. |
| Toxicity/Toxicokinetics |
The toxicity profile of calcium 2-hydroxy-4-(methylthio)butanoate is well-established as it is used in animal nutrition. It is generally recognized as safe for use in animal feed at recommended levels. The compound is intended for research and agricultural 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 |
2-Hydroxy-4-(methylthio)butyric acid is a light brown liquid. (USCG, 1999)
2-Hydroxy-4-(methylthio)butyric acid is a thiocarboxylic acid. 2-Hydroxy-4-(methylthio)butyric acid has been reported in Arabidopsis thaliana, and relevant data are available. Mechanism of Action We tested the ability of methionine precursors and methionine analogs to substitute for or antagonize L-methionine during the growth of Vorticella multicephalum. The results showed that replacing L-methionine with 2-hydroxy-4-(methylthio)butyric acid promoted the growth of Vorticella multicephalum. Calcium 2-hydroxy-4-(methylthio)butanoate (CAS 4857-44-7) is an endogenous metabolite. It is the calcium salt of 2-hydroxy-4-(methylthio)butyric acid (HMTBA), a methionine analog. The compound is useful in ion pairing and nitrogen retention, allowing for animals to grow quickly. It has a molecular formula of C10H18CaO6S2 and a molecular weight of 338.45. |
| Molecular Formula |
C10H18CAO6S2
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| Molecular Weight |
338.45
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| Exact Mass |
338.017
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| CAS # |
4857-44-7
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| Related CAS # |
14676-91-6 (calcium salt);14676-91-6 (unspecified calcium salt);23597-90-2 (mono-hydrochloride salt);4857-44-7 (calcium[2:1] salt);4857-44-7 (calcium salt/solvate)
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| PubChem CID |
11427
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| Appearance |
White to off-white solid powder
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| Boiling Point |
316.5ºC at 760 mmHg
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| Melting Point |
250 °C
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| Flash Point |
145.2ºC
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| LogP |
0.215
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
9
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| Complexity |
94.2
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
ONFOSYPQQXJWGS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
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| Chemical Name |
2-hydroxy-4-methylsulfanylbutanoic 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) |
DMSO :~31.25 mg/mL (~92.33 mM )
H2O :~14.29 mg/mL (~42.22 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% 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 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.15 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 20.8 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (6.15 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9546 mL | 14.7732 mL | 29.5465 mL | |
| 5 mM | 0.5909 mL | 2.9546 mL | 5.9093 mL | |
| 10 mM | 0.2955 mL | 1.4773 mL | 2.9546 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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