| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Not applicable (metabolite and analytical standard). 2-(Methylamino)benzoic acid is a metabolite rather than a pharmacologically active compound with a defined target. It is the major metabolite of methyl-N-methylanthranilates (MMA), formed by ester hydrolysis. The compound has potential analgesic activity, but its mechanism of action is not well characterized. It is primarily used as an analytical standard for monitoring MMA metabolism in biological samples.
|
|---|---|
| ln Vitro |
2-(Methylamino)benzoic acid is the major metabolite of methyl-N-methylanthranilates (MMA). The compound has potential analgesic activity. It is used to detect the metabolic levels of MMA in rat liver. As a metabolite, its in vitro activity is primarily related to its role as a marker of MMA metabolism rather than direct pharmacological effects. The compound's specific in vitro activities depend on the concentrations tested and the assay systems used.
|
| ln Vivo |
2-(Methylamino)benzoic acid has been used to detect the metabolic levels of MMA in rat liver. As a metabolite of methyl-N-methylanthranilates, it is formed in vivo through ester hydrolysis. The compound may have potential analgesic activity, but specific in vivo pharmacological studies are limited. It is primarily used as a biomarker for monitoring MMA metabolism in pharmacokinetic and toxicokinetic studies.
|
| Enzyme Assay |
Non-cell-based assays for 2-(methylamino)benzoic acid are primarily analytical in nature. HPLC-UV, LC-MS/MS, or GC-MS methods are used for identification and quantification of the compound in biological samples such as liver tissue, plasma, or urine. The compound serves as a reference standard for method validation and quality control in metabolite monitoring studies. Standard analytical methods including NMR and mass spectrometry are used for compound characterization and purity assessment.
|
| Cell Assay |
Cell-based assays for 2-(methylamino)benzoic acid are not commonly performed, as the compound is primarily used as an analytical standard and metabolite marker. In studies of MMA metabolism, liver cells or hepatocytes may be treated with MMA, and the formation of 2-(methylamino)benzoic acid is measured as a marker of metabolic activity. Cytotoxicity is not typically assessed for this compound.
|
| Animal Protocol |
In vivo studies of 2-(methylamino)benzoic acid have been conducted in rats to detect the metabolic levels of MMA in the liver. The compound is formed as a metabolite following administration of methyl-N-methylanthranilates. Standard protocols for these studies involve administration of MMA to animals, collection of liver tissue or blood samples at various time points, and analysis of 2-(methylamino)benzoic acid levels by HPLC or LC-MS/MS.
|
| ADME/Pharmacokinetics |
2-(Methylamino)benzoic acid has a molecular formula of C₈H₉NO₂ and a molecular weight of 151.16 g/mol. The CAS number is 119-68-6. The compound is also known as N-Methylanthranilic acid. It is the major metabolite of methyl-N-methylanthranilates (MMA). The compound can be extracted from citrus fruits. It should be stored under recommended conditions. It is intended for research use only.
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| Toxicity/Toxicokinetics |
Specific toxicity data for 2-(methylamino)benzoic acid are limited. As a metabolite of methyl-N-methylanthranilates and a compound found in citrus fruits, it is generally considered to have low toxicity. The compound has potential analgesic activity, suggesting biological activity at certain concentrations. Standard laboratory safety practices should be followed when handling this compound, including the use of personal protective equipment. It is intended for research use only.
|
| References | |
| Additional Infomation |
N-Methyl-o-aminobenzoic acid is an aromatic amino acid, a derivative of o-aminobenzoic acid in which a hydrogen atom bonded to a nitrogen atom is replaced by a methyl group. It is a plant metabolite functionally related to o-aminobenzoic acid and is the conjugate acid of N-methyl-o-aminobenzoic acid ester. N-Methyl-o-aminobenzoic acid has been reported to exist in Daphnia pulex, Streptomyces, and other organisms with relevant data.
2-(Methylamino)benzoic acid (N-Methylanthranilic acid) is the major metabolite of methyl-N-methylanthranilates (MMA), formed by conversion of the ester group. The compound can be extracted from citrus fruits and has potential analgesic activity. It is used to detect the metabolic levels of MMA in rat liver, serving as a biomarker for monitoring drug metabolism and biotransformation. The compound is used as a research tool for studying the metabolism of methyl-N-methylanthranilates and related compounds. It is for research use only. |
| Molecular Formula |
C8H9NO2
|
|---|---|
| Molecular Weight |
151.16
|
| Exact Mass |
151.063
|
| CAS # |
119-68-6
|
| Related CAS # |
2-(Methylamino)benzoic acid; 119-68-6
|
| PubChem CID |
67069
|
| Appearance |
Off-white to light brown solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
312.6±25.0 °C at 760 mmHg
|
| Melting Point |
170-172 °C (dec.)(lit.)
|
| Flash Point |
142.8±23.2 °C
|
| Vapour Pressure |
0.0±0.7 mmHg at 25°C
|
| Index of Refraction |
1.623
|
| Source |
Endogenously produced metabolite
|
| LogP |
2.47
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
11
|
| Complexity |
147
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CNC1=CC=CC=C1C(=O)[O-]
|
| InChi Key |
WVMBPWMAQDVZCM-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)
|
| Chemical Name |
2-(methylamino)benzoic 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 (In Vitro) |
DMSO: ~50 mg/mL (~330.8 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.54 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 2.5 mg/mL (16.54 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (16.54 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.6155 mL | 33.0775 mL | 66.1551 mL | |
| 5 mM | 1.3231 mL | 6.6155 mL | 13.2310 mL | |
| 10 mM | 0.6616 mL | 3.3078 mL | 6.6155 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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