| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
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| Other Sizes |
| Targets |
As an amino acid derivative, N-Isobutyrylglycine does not have a defined primary drug target in the context of therapeutic development. However, as an N-acylglycine, it may be used in research to study glycine conjugation pathways, amino acid metabolism, and enzyme-substrate interactions. N-Acylglycines are formed through the conjugation of glycine with acyl-CoA compounds, catalyzed by glycine N-acyltransferase. The isobutyryl moiety provides hydrophobic character that can modulate the compound's interactions with biological targets. The compound can serve as a substrate for studying glycine N-acyltransferase activity and as a building block for synthesizing peptides. It may also be used as a marker for organic acidemias and metabolic disorders.
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| ln Vitro |
Commercial ergot supplements have been made from amino acids and their derivatives. 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. They are regarded as advantageous synergistic food ingredients [1].
In vitro studies on amino acid derivatives, including this glycine 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 an N-acylglycine, this compound may be used in cell-based assays to investigate glycine conjugation, amino acid metabolism, and the effects of acylation on amino acid biological activity. The compound can also be utilized in studies examining the role of glycine in detoxification pathways and as a potential biomarker for metabolic disorders. |
| 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 an N-acylglycine, this compound may be administered in animal studies to evaluate the effects of glycine conjugation on metabolism or to study the pharmacokinetics and bioavailability of N-acylamino acids. It may also be used in studies of organic acidemias as a diagnostic marker. However, specific in vivo pharmacological data for this exact compound is limited, as it is primarily supplied as a research chemical for metabolic studies.
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| Enzyme Assay |
Non-cell-based enzyme or receptor binding assays for this compound typically involve enzymatic studies using purified glycine N-acyltransferase or other acyltransferases. 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 also be used in studies examining glycine conjugation pathways using liver homogenates or purified enzyme preparations. For peptide synthesis applications, the compound is evaluated in coupling reactions using standard peptide synthesis chemistry to assess reactivity and coupling efficiency.
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| Cell Assay |
Cell-based assays for this N-acylglycine derivative typically utilize hepatocyte cell lines or primary hepatocytes to evaluate compound effects on glycine conjugation and amino acid 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 LDH release assays. The compound's effects on glycine conjugation can be studied using HPLC or mass spectrometry to measure metabolite formation. For peptide 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 N-acylglycines on metabolism, animals may be administered the compound and monitored for changes in metabolic parameters or excretion of acylglycines. Pharmacodynamic assessments may include blood and urine sampling for metabolite analysis and monitoring of body weight and general health parameters. All animal studies must comply with institutional ethical guidelines.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties for this N-acylglycine can be inferred from structurally related compounds. As a small molecule (molecular weight 145.16 g/mol), it is expected to have reasonable oral bioavailability. The compound shows moderate solubility in aqueous and organic solvents. For in vivo administration, formulations using suitable vehicles may be employed. The compound is stable at room temperature during shipping and 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. As a human metabolite, it may be subject to further metabolism or renal excretion.
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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. As a human metabolite, it is generally considered to have low inherent toxicity. 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. For in vitro cytotoxicity assessment, the compound can be tested in mammalian cell lines using standard MTT or LDH release assays.
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| References | |
| Additional Infomation |
N-Isobutyrylglycine is an N-acylglycine, where the acyl group is specifically defined as an isobutyryl group. It is a metabolic product of human urine and is the conjugate acid of N-isobutyrylglycine. There are reports and relevant data regarding the presence of isobutyrylglycine in the human body.
N-Isobutyrylglycine is an N-acylglycine in which the nitrogen atom is acylated with an isobutyryl group. It is a human metabolite functionally related to isobutyric acid and a glycine analogue. N-Acylglycines are formed through the conjugation of glycine with acyl-CoA compounds, catalyzed by glycine N-acyltransferase. This compound is supplied as a research-grade reagent for biochemical and pharmacological studies, useful for studying glycine conjugation pathways, as a potential biomarker for metabolic disorders, and as a building block in peptide synthesis. It is not an approved drug and has not undergone clinical trials; it is strictly for research purposes. |
| Molecular Formula |
C6H11NO3
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|---|---|
| Molecular Weight |
145.16
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| Exact Mass |
145.073
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| CAS # |
15926-18-8
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| Related CAS # |
N-Isobutyryl-glycine-d7;1330037-23-4;N-Isobutyrylglycine-d2;1219795-05-7
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| PubChem CID |
10855600
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
368.2±25.0 °C at 760 mmHg
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| Melting Point |
82.5 °C
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| Flash Point |
176.5±23.2 °C
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| Vapour Pressure |
0.0±1.8 mmHg at 25°C
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| Index of Refraction |
1.457
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| LogP |
-0.53
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
10
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| Complexity |
142
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C(NCC(O)=O)=O)C
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| InChi Key |
DCICDMMXFIELDF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H11NO3/c1-4(2)6(10)7-3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)
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| Chemical Name |
2-(2-methylpropanoylamino)acetic 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: 20 mg/mL (137.78 mM)
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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 | 6.8890 mL | 34.4448 mL | 68.8895 mL | |
| 5 mM | 1.3778 mL | 6.8890 mL | 13.7779 mL | |
| 10 mM | 0.6889 mL | 3.4445 mL | 6.8890 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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