| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
There is no specific molecular target reported for 2-Amino-3-methylbenzoic acid. The compound is known as a metabolite of lidocaine and is used as a synthetic reagent, for example, in the synthesis of the local anesthetic Ropivacaine.
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|---|---|
| ln Vitro |
utilized as stepping stones in chemical synthesis
There is no specific in vitro activity data available for this compound. It has potential herbicidal activity and serves as a building block for the synthesis of various pharmaceutical compounds. |
| ln Vivo |
There is no specific in vivo activity data available for this compound. As a metabolite, it is not the primary active pharmaceutical ingredient but a degradation or metabolic product of other drugs.
|
| Enzyme Assay |
There is no specific enzyme/receptor binding protocol for this compound. As a synthetic intermediate, a typical protocol involves dissolving 2-Amino-3-methylbenzoic acid in a solvent such as DMF or THF and activating the carboxylic acid group (e.g., with EDCI or DCC) for amide bond formation with an amine.
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| Cell Assay |
There is no specific cell-based protocol for this compound. If used in cellular experiments, a general protocol would involve dissolving the compound in DMSO (stock concentration 10-100 mM) and diluting it to working concentrations (e.g., 1-100 uM) in cell culture medium for specified incubation periods.
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| Animal Protocol |
There is no standard in vivo animal protocol for this compound. It is primarily used as a synthetic intermediate in medicinal chemistry rather than for direct administration in animals.
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| ADME/Pharmacokinetics |
General PK properties for this compound are not applicable for its use as a reagent. As a small aromatic amino acid, it is likely water-soluble and may be readily excreted. Formulation is typically in DMSO or other organic solvents.
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| Toxicity/Toxicokinetics |
General toxicity for this chemical intermediate is considered moderate. Safety data sheets indicate it is an irritant to the skin and eyes. Standard precautions including gloves and safety goggles should be used when handling this compound.
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| Additional Infomation |
2-Amino-3-methylbenzoic acid is an aminobenzoic acid.
2-Amino-3-methylbenzoic acid is an important building block in organic synthesis and medicinal chemistry. It serves as a key intermediate in the production of various pharmaceuticals, including local anesthetics and other bioactive compounds. This product is for research use only. |
| Molecular Formula |
C8H9NO2
|
|---|---|
| Molecular Weight |
151.17
|
| Exact Mass |
151.063
|
| CAS # |
4389-45-1
|
| PubChem CID |
78101
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
315.1±30.0 °C at 760 mmHg
|
| Melting Point |
174-177 °C(lit.)
|
| Flash Point |
144.4±24.6 °C
|
| Vapour Pressure |
0.0±0.7 mmHg at 25°C
|
| Index of Refraction |
1.618
|
| LogP |
1.67
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
11
|
| Complexity |
158
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C(C1=C([H])C([H])=C([H])C(C([H])([H])[H])=C1N([H])[H])=O
|
| InChi Key |
WNAJXPYVTFYEST-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)
|
| Chemical Name |
2-amino-3-methylbenzoic 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) |
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 | 6.6151 mL | 33.0753 mL | 66.1507 mL | |
| 5 mM | 1.3230 mL | 6.6151 mL | 13.2301 mL | |
| 10 mM | 0.6615 mL | 3.3075 mL | 6.6151 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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