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| Other Sizes |
| Targets |
As an amino acid derivative, 4-Aminobutylphosphonic acid does not have a defined primary drug target in the context of therapeutic development. However, as a phosphonic acid analogue of ornithine, it may be used in research to study amino acid metabolism, enzyme-substrate interactions, and phosphate analogues. Phosphonic acids are stable analogues of phosphate esters and can act as inhibitors of enzymes that utilize phosphate or amino acid substrates. The compound can serve as a building block for synthesizing phosphonic acid-containing peptides and as a tool for studying metabolic pathways involving ornithine and other amino acids.
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| ln Vitro |
In vitro studies on amino acid derivatives, including this phosphonic acid analogue, have demonstrated their capacity to influence the release of anabolic hormones, modulate fuel availability for cellular activity, enhance mental performance under stress-related conditions, and prevent exercise-induced muscle damage. As a phosphonic acid derivative, this compound may be used in cell-based assays to investigate amino acid transport mechanisms, enzyme inhibition, and the effects of phosphonic acid analogues on cellular metabolism. The compound can also be utilized in studies examining the role of phosphate analogues in biological systems.
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| ln Vivo |
In vivo studies on amino acid derivatives have shown that they affect the release of anabolic hormones, the availability of fuel for activity, the ability to think clearly under pressure, and the prevention of muscular damage brought on by exertion. As a phosphonic acid analogue, this compound may be administered in animal studies to evaluate its effects on metabolism or to study the pharmacokinetics and bioavailability of phosphonic acid-containing compounds. However, specific in vivo pharmacological data for this exact compound remains limited, as it is primarily supplied as a research chemical for organic synthesis rather than as a therapeutic agent.
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| Enzyme Assay |
Non-cell-based enzyme or receptor binding assays for this compound typically involve enzymatic studies using purified enzymes that recognize ornithine or phosphate substrates. Standard protocols include incubating varying concentrations of the test compound with the enzyme source in appropriate buffer systems, followed by measurement of enzymatic activity using spectrophotometric or chromatographic detection methods. The compound can be tested for its ability to act as a substrate or inhibitor. For organic synthesis applications, the compound is evaluated in coupling reactions using standard chemistry to assess reactivity and coupling efficiency.
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| Cell Assay |
Cell-based assays for this phosphonic acid derivative typically utilize mammalian cell lines to evaluate compound uptake, cytotoxicity, and effects on cellular metabolism. Standard protocols involve culturing cells in appropriate media at 37°C in 5% CO₂, followed by treatment with varying concentrations of the compound (typically 0.1-100 μM) for 24-72 hours. Cell viability is assessed using MTT or CCK-8 assays. The compound's effects on amino acid transport or metabolism can be studied using radiolabeled tracer uptake assays or metabolic profiling. For organic synthesis applications, the compound is used as a building block.
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| Animal Protocol |
In vivo animal studies for amino acid derivatives typically involve administration via oral gavage, intraperitoneal injection, or intravenous injection in rodent models (mice or rats). Standard protocols include dosing at ranges of 10-100 mg/kg body weight, with observations over 1-14 days depending on the study objectives. For studies evaluating the effects of phosphonic acid analogues, animals may be administered the compound and monitored for changes in metabolic parameters or enzyme activity. Pharmacodynamic assessments may include blood sampling for compound analysis, tissue collection for histopathological examination, and monitoring of body weight. All animal studies must comply with institutional ethical guidelines.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties for this phosphonic acid derivative can be inferred from structurally related compounds. As a small molecule (molecular weight 153.12 g/mol), it is expected to have reasonable oral bioavailability. The phosphonic acid group may influence the compound's distribution and metabolism. The compound shows moderate solubility in aqueous solutions. For in vivo administration, formulations using suitable vehicles may be employed. The compound should be stored as powder at -20°C for long-term preservation. Definitive PK parameters such as half-life, Cmax, and AUC require formal studies.
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| Toxicity/Toxicokinetics |
Toxicological data for this specific compound are limited as it is supplied for research use only and not intended for human therapeutic applications. Amino acid derivatives in general are considered to have low inherent toxicity based on their natural amino acid origins. However, as with all research chemicals, appropriate safety precautions should be observed during handling, including the use of personal protective equipment and work in well-ventilated areas. The compound may cause skin and eye irritation upon contact. Acute toxicity studies in animal models would be required to establish LD₅₀ values and no-observed-adverse-effect levels.
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| Additional Infomation |
4-Aminobutylphosphonic acid is an aminoalkylphosphonic acid and phosphonic acid analogue of the amino acid ornithine. Phosphonic acids are stable analogues of phosphate esters and are resistant to enzymatic hydrolysis. This compound is used as a building block in organic synthesis and as a tool for studying phosphonic acid analogues of amino acids. It is not an approved drug and has not undergone clinical trials; it is strictly for research purposes.
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| Molecular Formula |
C4H12NO3P
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|---|---|
| Molecular Weight |
153.12
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| Exact Mass |
153.055
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| CAS # |
35622-27-6
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| PubChem CID |
1726
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| Appearance |
White to gray solid powder
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| Density |
1.304g/cm3
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| Boiling Point |
344.2ºC at 760mmHg
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| Flash Point |
161.9ºC
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| Index of Refraction |
1.491
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| LogP |
0.603
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| Hydrogen Bond Donor Count |
3
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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 |
110
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| Defined Atom Stereocenter Count |
0
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| SMILES |
P(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])(=O)(O[H])O[H]
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| InChi Key |
IDPXFPYGZRMMKZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H12NO3P/c5-3-1-2-4-9(6,7)8/h1-5H2,(H2,6,7,8)
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| Chemical Name |
4-aminobutylphosphonic 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.5308 mL | 32.6541 mL | 65.3083 mL | |
| 5 mM | 1.3062 mL | 6.5308 mL | 13.0617 mL | |
| 10 mM | 0.6531 mL | 3.2654 mL | 6.5308 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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