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| Other Sizes |
| Targets |
3-Methylflavone-8-carboxylic acid does not have a defined pharmacological target as it is a fragment molecule and scaffold compound. As a flavone derivative, it belongs to a class of compounds known for diverse biological activities including antioxidant, anti-inflammatory, and anticancer properties. The compound serves as a research tool for the design and screening of novel drug candidates. Its derivatives may target various enzymes and receptors depending on the specific modifications made.
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| ln Vitro |
No direct in vitro pharmacological activity data are available for 3-methylflavone-8-carboxylic acid as it is a fragment molecule. In research settings, the compound is used as a biochemical reagent for biomedical research. Its activity is assessed in terms of synthetic utility and scaffold value rather than direct biological activity. The compound serves as an important scaffold for molecular linking, expansion, and modification in drug discovery.
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| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 3-methylflavone-8-carboxylic acid as it is not a therapeutic agent. The compound is used in chemical synthesis and drug discovery research as a scaffold and intermediate. It is not administered directly to animals for pharmacological evaluation. Its derivatives may be evaluated in animal models depending on the therapeutic area of interest.
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| Enzyme Assay |
For non-cellular assays, 3-methylflavone-8-carboxylic acid is characterized by standard analytical techniques including HPLC, NMR, and mass spectrometry to confirm identity and purity. The compound can be evaluated as a substrate in various organic reactions including esterification, amidation, and coupling reactions. Typical protocols involve dissolving the compound in appropriate solvents and analyzing reaction products by chromatographic methods. Purity is typically ≥98%. The compound has a molecular weight of 280.28 and molecular formula C17H12O4.
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| Cell Assay |
For in vitro cell-based studies, 3-methylflavone-8-carboxylic acid can be dissolved in DMSO or appropriate solvents and diluted in cell culture medium to appropriate concentrations. Cells are cultured under standard conditions and treated with the compound or its derivatives to assess biological activities. The compound may be used as a scaffold for synthesizing libraries of flavone-based compounds for screening. Appropriate controls should be included in the experimental design.
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| Animal Protocol |
For in vivo animal studies, 3-methylflavone-8-carboxylic acid can be formulated using standard injection vehicles. The compound is a solid at 20°C. Dosing solutions should be freshly prepared and administered according to specific protocols with appropriate control groups. Standard handling procedures for flavone derivatives should be followed.
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| ADME/Pharmacokinetics |
3-Methylflavone-8-carboxylic acid has a molecular weight of 280.28 and molecular formula C17H12O4. It appears as a solid at 20°C. The compound has an MDL number of MFCD00040998. Purity: typically ≥98%. Storage: keep in a cool, dry place protected from light and moisture. The compound is a member of the class of flavones.
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| Toxicity/Toxicokinetics |
3-Methylflavone-8-carboxylic acid is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD50 values and detailed toxicological profiles have not been extensively reported.
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| Additional Infomation |
3-Methylflavonoid-8-carboxylic acid belongs to the flavonoid class of compounds. Its structure consists of a methyl group at position 3 and a carboxylic acid group at position 8 of the flavonoid molecule. It is an EC 3.1.4. (phosphodiester hydrolase) inhibitor. It belongs to the flavonoid class and is also an oxomonocarboxylic acid.
3-Methylflavone-8-carboxylic acid (CAS 3468-01-7) is also known as 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid and is a member of the class of flavones. It has an MDL number of MFCD00040998 and is supplied by various research chemical suppliers. The compound is a fragment molecule used as a scaffold for drug discovery. No clinical trials or therapeutic approvals exist for the parent compound. |
| Molecular Formula |
C17H12O4
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|---|---|
| Molecular Weight |
280.28
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| Exact Mass |
280.073
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| CAS # |
3468-01-7
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| Related CAS # |
3-Methylflavone-8-carboxylic acid-d5;1189883-79-1
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| PubChem CID |
77016
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
485.1±45.0 °C at 760 mmHg
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| Melting Point |
234-236°C
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| Flash Point |
183.3±22.2 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.643
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| LogP |
3.47
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
21
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| Complexity |
473
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1C(C2C([H])=C([H])C([H])=C([H])C=2[H])=C(C([H])([H])[H])C(C2C([H])=C([H])C([H])=C(C(=O)O[H])C1=2)=O
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| InChi Key |
KMMBBZOSQNLLMN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)
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| Chemical Name |
3-methyl-4-oxo-2-phenylchromene-8-carboxylic 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: ≥ 200 mg/mL (~713.6 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (17.84 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 (50.0 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: ≥ 5 mg/mL (17.84 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 (50.0 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 | 3.5679 mL | 17.8393 mL | 35.6786 mL | |
| 5 mM | 0.7136 mL | 3.5679 mL | 7.1357 mL | |
| 10 mM | 0.3568 mL | 1.7839 mL | 3.5679 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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