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| Other Sizes |
| Targets |
The primary targets of D-Allothreonine include enzymes involved in amino acid metabolism, such as threonine dehydratase and threonine aldolase. As a stereoisomer of threonine, it may act as a substrate or inhibitor for these enzymes, depending on the enzyme's stereospecificity. The compound may also interact with bacterial enzymes involved in cell wall synthesis, as threonine and its analogs can be incorporated into peptidoglycan precursors. These targets make it relevant for research in enzymology, microbiology, and stereochemistry.
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| ln Vitro |
In vitro, D-Allothreonine is used to study enzyme stereospecificity and amino acid metabolism. It is employed as a substrate in enzyme assays to determine the activity and specificity of threonine-metabolizing enzymes. The compound is also used as a chiral building block in the synthesis of pharmaceuticals and other bioactive molecules. Its effects on bacterial growth and cell wall synthesis are studied in microbiological assays. These in vitro activities support its use in biochemistry, enzymology, and synthetic chemistry.
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| ln Vivo |
In vivo, D-Allothreonine is an endogenous metabolite that may be formed through racemization or metabolic pathways involving threonine. It is found in various biological systems and may have physiological functions related to amino acid metabolism. However, its specific in vivo roles have not been extensively characterized. The compound is not used as a therapeutic agent but serves as a research tool for studying amino acid metabolism and enzyme specificity.
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| Enzyme Assay |
In vitro enzyme assays for D-Allothreonine involve measuring its activity as a substrate or inhibitor for threonine-metabolizing enzymes. The compound is incubated with purified enzymes at concentrations ranging from 0.1-1000 μM, and product formation is monitored by spectrophotometry or HPLC. Kinetic parameters such as Km and Vmax are determined. The compound’s effects on bacterial growth are assessed using broth microdilution methods. All assays include appropriate controls and reference compounds.
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| Cell Assay |
In vitro cell-based assays for D-Allothreonine are conducted using bacterial cultures or mammalian cell lines. Bacteria are treated with compound concentrations ranging from 0.1-1000 μM for 24-48 hours, and growth inhibition is measured. Mammalian cells are treated with the compound to assess its effects on amino acid metabolism and cell viability. Cell viability is assessed using MTT assays. Experiments include vehicle controls and positive controls.
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| Animal Protocol |
In vivo animal studies with D-Allothreonine are limited, as the compound is primarily used as a research tool. Metabolic studies may be conducted in rodents to characterize its formation and elimination. The compound is administered via oral or intravenous routes at doses ranging from 1-50 mg/kg. Plasma and urine samples are collected and analyzed. Each group consists of 6-10 animals with appropriate controls.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of D-Allothreonine have not been extensively characterized. As a small, polar amino acid, it is expected to have moderate oral bioavailability. The compound is transported across cell membranes by amino acid transporters. Metabolism likely occurs through pathways similar to those of L-threonine. Elimination occurs via renal excretion. Detailed PK parameters require further investigation.
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| Toxicity/Toxicokinetics |
Toxicological data for D-Allothreonine are limited, as it is a research chemical. No significant toxicity has been reported at concentrations used for research. As with all research chemicals, appropriate safety precautions should be taken during handling.
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| References |
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| Additional Infomation |
D-Isothreonine is the D-enantiomer of isotreonine. It is present in the peptides and lipids of some bacteria and functions as a bacterial metabolite. It is an isotreonine and also a D-α-amino acid. It is an enantiomer of L-isothreonine and a zwitterionic tautomer of D-isothreonine.
See also: Threonine (note moved to). D-Allothreonine is a non-proteinogenic amino acid and a stereoisomer of threonine used as a chiral building block and research tool in enzymology, microbiology, and stereochemistry. It is an endogenous metabolite and is used in studies of amino acid metabolism and enzyme specificity. Not approved for clinical therapeutic use; intended for research purposes only. |
| Molecular Formula |
C₄H₉NO₃
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|---|---|
| Molecular Weight |
119.12
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| Exact Mass |
119.058
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| CAS # |
24830-94-2
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| Related CAS # |
L-Allothreonine;28954-12-3
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| PubChem CID |
90624
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
345.8±32.0 °C at 760 mmHg
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| Melting Point |
276ºC
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| Flash Point |
162.9±25.1 °C
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| Vapour Pressure |
0.0±1.7 mmHg at 25°C
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| Index of Refraction |
1.507
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| LogP |
-1.23
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| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
8
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| Complexity |
93.3
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C[C@H]([C@H](C(=O)O)N)O
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| InChi Key |
AYFVYJQAPQTCCC-PWNYCUMCSA-N
|
| InChi Code |
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1
|
| Chemical Name |
(2R,3R)-2-amino-3-hydroxybutanoic acid
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| Synonyms |
DAllothreonine; D Allothreonine
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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) |
H2O : ~33.33 mg/mL (~279.80 mM)
DMSO :< 1 mg/mL |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 8.33 mg/mL (69.93 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication (<60°C).
(Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.3949 mL | 41.9745 mL | 83.9490 mL | |
| 5 mM | 1.6790 mL | 8.3949 mL | 16.7898 mL | |
| 10 mM | 0.8395 mL | 4.1974 mL | 8.3949 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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