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3-(Methylthio)propionic acid

Cat No.:V29786 Purity: ≥98%
3-(Methylthio)propionic acid is an intermediate in methionine metabolism.
3-(Methylthio)propionic acid
3-(Methylthio)propionic acid Chemical Structure CAS No.: 646-01-5
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
100mg
Other Sizes
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Product Description
3-(Methylthio)propionic acid is an intermediate in methionine metabolism.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
Methionine has often been demonstrated to be the most hazardous amino acid in tests intended to evaluate the relative toxicity of dietary amino acids. 3. In vitro methionine catabolism in the livers of rats and monkeys produces methylthiopropionic acid as an intermediary. It seems that a significant amount of methionine oxidation occurs in vitro through this mechanism [1]. The total quantity of 3-methylthioacrylic acid that S. Methionine content in the culture medium has a direct impact on Lincolnsis cultures. This route may start with a ketoacid as the first step, which is subsequently converted to 3-methylthiopropionic acid through oxidative decarboxylation [2]. employing Fusarium oxysporum as a model fungus, experiments employing purified 3-MTPA demonstrated antifungal efficacy. Partially purified extracts at doses more than 12 mg significantly decreased seed germination and root and shoot development, as demonstrated by daily measurements of shoot and root length [3]. By stimulating differentiation in colon cancer cells that have undergone complete differentiation, ethyl 3-methylthiopropionate has possible anticancer effects. In addition to causing an increase in the number and maximum diameter of catheters per culture plate, treatment of RCM-1 cells with ethyl 3-methylthiopropionate at doses of 0.25 to 2 mM for 4 days gradually increased the percentage of area occupied by conduit structures relative to the control.
References

[1]. Identification of 3-methylthiopropionic acid as an intermediate in mammalian methioninemetabolism in vitro. J Biol Chem. 1978 Nov 10;253(21):7844-50.

[2]. Formation of 3-methylthioacrylic acid from methionine by Streptomyces lincolnensis. Isolation of a peroxidase. J Antibiot (Tokyo). 1976 Jun;29(6):646-52.

[3]. 3-methylthiopropanoic acid produced by Enterobacter intermedium 60-2G inhibits fungal growth and weed seedling development. J Antibiot (Tokyo). 2003 Feb;56(2):177-80.

[4]. 3-Methylthiopropionic acid ethyl ester, isolated from Katsura-uri (Japanese pickling melon, Cucumis melo var. conomon), enhanced differentiation in human colon cancer cells. J Agric Food Chem. 2008 May 14;56(9):2977-84.

Additional Infomation
3-(methylthio)propionic acid is a thia fatty acid acid consisting of propionic acid with a methylthio substituent at the 3-position; an intermediate in mammalian methionine metabolism in vitro. The simplest known phytotoxin, it is a blight-inducing toxin produced by the cassava pathogen Xanthomonas campestris manihotis. It has a role as a phytotoxin. It is functionally related to a propionic acid. It is a conjugate acid of a 3-(methylthio)propionate.
3-Methylsulfoniopropionate has been reported in Homo sapiens, Streptomyces celluloflavus, and other organisms with data available.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C4H8O2S
Molecular Weight
120.1701
Exact Mass
120.024
CAS #
646-01-5
PubChem CID
563
Appearance
Colorless to light yellow liquid
Density
1.16
Boiling Point
130ºC 2mm
Melting Point
16ºC
Flash Point
130°C/15mm
Index of Refraction
1.4884
LogP
1.671
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Heavy Atom Count
7
Complexity
62.7
Defined Atom Stereocenter Count
0
SMILES
S(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)O[H]
InChi Key
CAOMCZAIALVUPA-UHFFFAOYSA-N
InChi Code
InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
Chemical Name
3-methylsulfanylpropanoic acid
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

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)
H2O : ~25 mg/mL (~208.04 mM)
Solubility (In Vivo)
Solubility in Formulation 1: 100 mg/mL (832.15 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 8.3215 mL 41.6077 mL 83.2154 mL
5 mM 1.6643 mL 8.3215 mL 16.6431 mL
10 mM 0.8322 mL 4.1608 mL 8.3215 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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What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
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g/mol

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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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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