| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
3-Carboxy-6-hydroxycoumarin is not primarily characterized as a drug targeting a specific biological target. Structure-activity relationship studies indicate that substituents at the 6-position of the coumarin-3-carboxylic acid scaffold directly modulate biological target engagement, with the 6-hydroxy substituent conferring superior cytotoxicity in Ag-based complexes compared to 7- and 8-hydroxy isomers.
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|---|---|
| ln Vitro |
3-Carboxy-6-hydroxycoumarin is an intermediate in organic syntheses rather than a drug with direct biological activity. Its 6-hydroxy substituent has been shown to confer superior cytotoxicity in Ag-based complexes versus 7-/8-OH isomers and cisplatin in metallodrug R&D applications. SAR studies demonstrate that the 6-OH pattern directs regioselective nitration at 5- and 7-positions for novel coumarin derivative synthesis.
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| ln Vivo |
No in vivo activity data for 3-Carboxy-6-hydroxycoumarin as a drug are available in the reference sources. As a synthetic intermediate and reference compound, it is not typically used for direct administration in animal models. Any in vivo biological effects would be mediated through its derivatives or metal complexes rather than the parent compound.
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| Enzyme Assay |
Not explicitly detailed for this compound. A typical enzyme/receptor binding assay for coumarin derivatives might involve incubation of the test compound with CYP2A6 enzyme in microsomal preparations, followed by measurement of substrate metabolism using HPLC or LC-MS/MS to assess inhibition of drug metabolism enzyme kinetics.
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| Cell Assay |
Not explicitly detailed for this compound in the reference sources. A standard cytotoxicity assay for coumarin-metal complexes could involve treating cancer cell lines with varying concentrations of the compound for 48-72 hours, followed by MTT or CellTiter-Glo viability assessment. For 3-Carboxy-6-hydroxycoumarin itself, no cell-based assay protocol is provided.
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| Animal Protocol |
No in vivo animal experimental protocols for 3-Carboxy-6-hydroxycoumarin as a direct drug candidate are provided in the reference sources. As a synthetic intermediate and reference standard, this compound is not intended for direct administration in animal studies. Any in vivo studies would be conducted on its metal complexes or derivatives.
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| ADME/Pharmacokinetics |
3-Carboxy-6-hydroxycoumarin has a molecular weight of 206.15 g/mol and molecular formula C10H6O5. It is soluble in DMSO (≥100 mg/mL, 485.08 mM) and exhibits high purity (up to 99.95%). For storage, it should be kept at -20degC. The crystalline structure has been characterized by X-ray crystallography.
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| Toxicity/Toxicokinetics |
No toxicity data for 3-Carboxy-6-hydroxycoumarin as a drug candidate are available in the reference sources. As a synthetic intermediate and reference standard, toxicity assessments would typically be conducted on its final drug products or metal complexes rather than the intermediate itself.
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| Additional Infomation |
3-Carboxy-6-hydroxycoumarin is not a clinical drug candidate but a research-grade intermediate and reference compound. It is commercially available with verified purity specifications from multiple suppliers. The compound has been fully characterized by 1H and 13C NMR spectroscopy and X-ray crystallography, providing a robust analytical baseline for quality control.
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| Molecular Formula |
C10H6O5
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|---|---|
| Molecular Weight |
206.151643276215
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| Exact Mass |
206.022
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| CAS # |
56437-16-2
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| PubChem CID |
11481147
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| Appearance |
White to off-white solid powder
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| LogP |
1.196
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
15
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| Complexity |
333
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=C(C=C2C=C(C(=O)O)C(=O)OC2=C1)O
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| InChi Key |
SLPOZBYDRWPSBE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H6O5/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4,11H,(H,12,13)
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| Chemical Name |
6-hydroxy-2-oxochromene-3-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 : ≥ 100 mg/mL (~485.08 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.13 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.8508 mL | 24.2542 mL | 48.5084 mL | |
| 5 mM | 0.9702 mL | 4.8508 mL | 9.7017 mL | |
| 10 mM | 0.4851 mL | 2.4254 mL | 4.8508 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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