| Size | Price | Stock | Qty |
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| 25g |
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| 50g |
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| 100g |
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| 500g |
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| Other Sizes |
| Targets |
2,3-Dimethylbenzoic acid (603-79-2) does not have a defined pharmacological target as it is primarily a synthetic intermediate and chemical reagent. However, it is used as a building block for the synthesis of pyridyl benzamide inhibitors targeting Trypanosoma brucei, the kinetoplastid parasite causing African sleeping sickness. These inhibitors presumably target essential enzymes or proteins in the parasite, such as kinetoplastid-specific proteases or metabolic enzymes. Additionally, the compound shows high binding affinity for the antenna-specific odorant-binding protein (OBP) of the alfalfa plant bug, Adelphocoris lineolatus, suggesting potential applications in insect control. The carboxylic acid group of 2,3-dimethylbenzoic acid can be activated for amide bond formation, allowing the introduction of various amine-containing fragments to target specific proteins.
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| ln Vitro |
Not applicable for 2,3-Dimethylbenzoic acid (603-79-2) as it is a synthetic intermediate without documented direct biological activity. No IC50, EC50, or other potency values have been reported for this compound in the context of target-based assays. However, it is used as a reagent to synthesize pyridyl benzamide inhibitors for T. brucei, and those downstream inhibitors would have defined potency values. The parent compound itself does not possess intrinsic pharmacological activity. Its role is purely as a chemical building block for more complex molecules.
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| ln Vivo |
Not applicable for 2,3-Dimethylbenzoic acid (603-79-2) as it is a synthetic intermediate without documented in vivo biological activity. The compound is intended for chemical synthesis rather than pharmacological evaluation in animal models. It does not possess intrinsic therapeutic properties as a standalone agent. Any in vivo activity would be associated with the final compounds synthesized from this intermediate (such as pyridyl benzamide inhibitors for T. brucei), not with the precursor itself. The compound is not typically administered to animals for efficacy studies.
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| Enzyme Assay |
Not applicable for 2,3-Dimethylbenzoic acid (603-79-2) as it is a synthetic intermediate without reported receptor binding assays (except for the insect OBP binding). However, the compound has been shown to exhibit high binding affinity with antenna-specific odorant-binding protein (OBP) of Adelphocoris lineolatus (alfalfa plant bug). For insect OBP binding assays, typical protocols involve expression and purification of recombinant Adelphocoris lineolatus OBP. Binding affinity is measured using competitive fluorescence binding assays with a fluorescent probe (such as 1-NPN, N-phenyl-1-naphthylamine). The binding affinity (Ki or IC50) is determined by displacing the probe with increasing concentrations of 2,3-dimethylbenzoic acid. Binding constants are calculated from dose-response curves. No other receptor binding assays are reported for this compound.
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| Cell Assay |
Not applicable for 2,3-Dimethylbenzoic acid (603-79-2) as it is a synthetic intermediate without documented cell-based activity. This compound is not typically used in cell culture experiments as a pharmacologically active agent. Its primary applications are in organic synthesis as a starting material for drug manufacturing, particularly for inhibitors targeting Trypanosoma brucei. Standard practice involves converting this intermediate into final test compounds before cellular or in vivo testing for antiparasitic activity. No direct cell-based assays for the parent compound are reported in the available literature.
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| Animal Protocol |
Not applicable for 2,3-Dimethylbenzoic acid (603-79-2) as it is a synthetic intermediate without documented in vivo animal study protocols for its own activity. However, the antiparasitic compounds synthesized from this intermediate would be tested in animal models of Trypanosoma brucei infection. For such studies, typical protocols involve infecting mice with T. brucei (e.g., by intraperitoneal injection of parasites), then treating with test compounds orally or intraperitoneally once daily for 4-14 days. Endpoints: parasitemia (blood smear analysis), survival time, cure rates, and histopathological examination of tissues. However, 2,3-dimethylbenzoic acid itself would not be tested as a standalone antiparasitic agent in these models.
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| ADME/Pharmacokinetics |
Not applicable for 2,3-Dimethylbenzoic acid (603-79-2) as it is a synthetic intermediate without reported pharmacokinetic studies. The compound is not intended for systemic drug delivery. For chemical safety assessment, the compound has predicted physicochemical properties including XLogP of approximately 2.4, one hydrogen bond donor (carboxylic acid OH), and two hydrogen bond acceptors (carbonyl oxygen and OH). No formal PK data in humans or animals have been reported. The compound is used primarily as a chemical intermediate in research and development, not as a pharmaceutical candidate.
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| Toxicity/Toxicokinetics |
Toxicity data for 2,3-Dimethylbenzoic acid (603-79-2) are not widely reported in the available literature. The compound is classified as having low acute toxicity typical of aromatic carboxylic acids. Standard safety precautions for handling include: avoid dust formation, use appropriate personal protective equipment (chemical-resistant gloves, safety goggles, lab coat), ensure adequate ventilation, and avoid contact with skin, eyes, and clothing. The compound may cause skin, eye, and respiratory tract irritation. In case of accidental ingestion, seek medical attention. The compound should be stored in a cool, dry, well-ventilated area away from incompatible materials. No specific acute toxicity values (LD50) are reported. Environmental hazards: the compound may be harmful to aquatic life. Users should consult the Safety Data Sheet for comprehensive safety information.
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| References | |
| Additional Infomation |
2,3-Dimethylbenzoic acid is a dimethylbenzoic acid in which the two methyl groups are located at the 2 and 3 positions, respectively. It is functionally related to benzoic acid. It is the conjugate acid of 2,3-dimethylbenzoic acid ester.
2,3-Dimethylbenzoic acid (603-79-2) has a molecular formula of C9H10O2 and molecular weight of 150.17 g/mol. Its IUPAC name is 2,3-dimethylbenzoic acid. Synonyms include hemellitic acid and benzoic acid, 2,3-dimethyl-. The compound appears as a solid (crystals). Melting point: 143-147degC (with variations: 144-146degC, 154-156degC). Boiling point: 271.51degC (estimated). Purity: typically >98% by GC/HPLC. Storage conditions: store in a cool, dry, well-ventilated area in a tightly closed container, protected from light and moisture. Applications: used as a reagent in the synthesis of pyridyl benzamides as inhibitors for Trypanosoma brucei and for the synthesis of 2,3-dihydro-1H-isoindole-4-carboxylic acid. It also exhibits high binding affinity to Adelphocoris lineolatus odorant-binding protein for potential insect control applications. |
| Molecular Formula |
C9H10O2
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|---|---|
| Molecular Weight |
150.17
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| Exact Mass |
150.068
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| CAS # |
603-79-2
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| PubChem CID |
11782
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| Appearance |
White to light brown solid powder
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| Hydrogen Bond Donor Count |
1
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
11
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| Complexity |
154
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(C(=CC=C1)C(=O)O)C
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| InChi Key |
RIZUCYSQUWMQLX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)
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| Chemical Name |
2,3-dimethylbenzoic 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 | 6.6591 mL | 33.2956 mL | 66.5912 mL | |
| 5 mM | 1.3318 mL | 6.6591 mL | 13.3182 mL | |
| 10 mM | 0.6659 mL | 3.3296 mL | 6.6591 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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