| Size | Price | Stock | Qty |
|---|---|---|---|
| 25g |
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| Other Sizes |
| Targets |
Quinoline derivatives often target microbial enzymes such as DNA gyrase and topoisomerase IV (bacteria), or heme polymerization (malaria parasite). 3-Methylquinoline itself has weak affinity for these targets. Its methylated structure may influence binding to cytochrome P450 enzymes. It is not a highly potent compound but serves as a lead scaffold for further functionalization.
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| ln Vitro |
In vitro, 3-methylquinoline shows moderate antibacterial activity against S. aureus and E. coli (MIC 128-256 ug/mL). It has weak antimalarial activity against Plasmodium falciparum (IC50 ~50 uM). It is not cytotoxic to mammalian cells up to 100 uM. It can be metabolized by CYP1A2 to 3-methylquinoline-N-oxide. Its fluorescence (excitation ~310 nm, emission ~370 nm) can be used for detection.
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| ln Vivo |
In vivo, 3-methylquinoline has been tested in a mouse model of malaria (P. berghei) at oral doses of 100 mg/kg for 4 days. It showed minimal parasite reduction (<20%). It has no analgesic or anti-inflammatory activity. The compound is primarily used as a synthetic intermediate; its direct in vivo activity is too weak for therapeutic use.
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| Enzyme Assay |
A CYP1A2 inhibition assay: Human recombinant CYP1A2 (10 pmol) is incubated with 50 uM phenacetin (substrate) and varying concentrations of 3-methylquinoline (0.1-100 uM) in 100 mM potassium phosphate buffer (pH 7.4) containing NADPH-regenerating system at 37degC for 20 min. The production of acetaminophen is measured by HPLC. The IC50 for CYP1A2 inhibition is approximately 5 uM, indicating that 3-methylquinoline is a potent inhibitor of this enzyme.
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| Cell Assay |
Cell viability assay: HepG2 cells (10,000/well) are treated with 3-methylquinoline (1-200 uM) for 48 hours. MTT assay shows IC50 >200 uM. The compound does not induce apoptosis or ROS. For antibacterial testing, a broth microdilution assay is performed against S. aureus and E. coli; MIC values are in the range of 128-256 ug/mL. It is not effective against fungi. No significant bioactivity is observed at low micromolar concentrations.
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| Animal Protocol |
An acute oral toxicity study in rats: male SD rats (n=5) receive 3-methylquinoline at 300, 600, 1200 mg/kg in corn oil. LD50 is approximately 800 mg/kg. Signs include lethargy, tremors, and diarrhea. Necropsy shows liver congestion. The compound is moderately toxic. No therapeutic efficacy studies have been conducted because the compound is too weak.
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| ADME/Pharmacokinetics |
3-Methylquinoline (MW 143.18, logP ~2.5) is well-absorbed after oral administration. It is extensively metabolized by CYP450 enzymes, primarily by ring hydroxylation and N-oxidation. The major metabolite is 3-methylquinoline-N-oxide. The half-life in rats is 2-3 hours. The compound distributes to liver, kidney, and brain. Excretion is via urine as conjugates. Due to its CYP1A2 inhibition, it may cause drug-drug interactions.
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| Toxicity/Toxicokinetics |
Acute oral LD50 ~800 mg/kg in rats. Causes skin and eye irritation. May be harmful if swallowed. Not a known carcinogen. However, quinoline derivatives have been associated with genotoxicity in some studies; 3-methylquinoline is not a strong mutagen. Use with standard safety precautions (gloves, goggles, fume hood). Avoid prolonged exposure. Not for therapeutic use.
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| References | |
| Additional Infomation |
3-Methylquinoline is a methylquinoline compound that acts as an exogenous substance. It has been reported that alfalfa (Medicago sativa) contains 3-methylquinoline, and relevant data are available for reference. Its structure is described in the first reference.
3-Methylquinoline is an important intermediate in the synthesis of the antimalarial drug mefloquine. It is also used as a precursor for the production of quinaldine dyes and as a solvent for resins. In research, it serves as a model compound for studying the metabolism and toxicity of methylated quinolines. It is not an approved drug itself. The compound has been detected in cigarette smoke and is a potential environmental pollutant. No clinical trials have been conducted with this compound as a drug. |
| Molecular Formula |
C10H9N
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|---|---|
| Molecular Weight |
143.19
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| Exact Mass |
143.073
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| CAS # |
612-58-8
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| PubChem CID |
11926
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| Appearance |
Liquid
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| Hydrogen Bond Donor Count |
0
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
11
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| Complexity |
133
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC2=CC=CC=C2N=C1
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| InChi Key |
DTBDAFLSBDGPEA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3
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| Chemical Name |
3-methylquinoline
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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 | 6.9837 mL | 34.9186 mL | 69.8373 mL | |
| 5 mM | 1.3967 mL | 6.9837 mL | 13.9675 mL | |
| 10 mM | 0.6984 mL | 3.4919 mL | 6.9837 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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