| Size | Price | Stock | Qty |
|---|---|---|---|
| 1g |
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| Other Sizes |
Purity: ≥98%
| Targets |
Human Endogenous Metabolite Microbial Metabolite
Melilotic acid targets endogenous metabolic pathways as a human endogenous metabolite. It may play a role in plant defense mechanisms. The compound exhibits potential anti-inflammatory and antioxidant effects, suggesting it may modulate inflammatory and oxidative stress pathways. |
|---|---|
| ln Vitro |
In vitro, melilotic acid exhibits various biological activities, including potential anti-inflammatory and antioxidant effects. It is used in pharmacological research to study these activities. The compound is soluble in polar solvents and may be studied for its potential applications in food preservation and natural product synthesis.
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| ln Vivo |
In vivo, melilotic acid is an endogenously produced metabolite. It has roles as a human, bacterial, fungal, and plant xenobiotic metabolite. The compound's potential anti-inflammatory and antioxidant effects suggest it may have physiological functions. Further in vivo studies are needed to characterize its full pharmacological profile.
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| Enzyme Assay |
In vitro enzyme assays for melilotic acid's antioxidant activity involve incubating the compound with DPPH or ABTS radicals and measuring the decrease in absorbance spectrophotometrically. Anti-inflammatory activity is assessed by measuring the inhibition of pro-inflammatory cytokine production in stimulated immune cells or by measuring COX-2 activity. Metabolic studies use LC-MS/MS to quantify melilotic acid in biological samples.
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| Cell Assay |
For in vitro cell assays, cells are cultured in medium supplemented with melilotic acid at concentrations of 0.1-10 mM. Cell viability is assessed by MTT assay. Anti-inflammatory effects are evaluated by measuring pro-inflammatory cytokine levels (TNF-α, IL-6) in LPS-stimulated cells using ELISA. Antioxidant activity is assessed by measuring ROS levels and glutathione content. The compound's effects on cell signaling pathways are evaluated by Western blot.
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| Animal Protocol |
For in vivo animal studies, melilotic acid is administered to rodents via oral gavage or intraperitoneal injection at doses of 10-100 mg/kg. Blood and tissue samples are collected for pharmacokinetic analysis. The compound is quantified by HPLC or LC-MS/MS. Anti-inflammatory effects are evaluated by measuring inflammatory markers in serum and tissues. Antioxidant effects are assessed by measuring oxidative stress markers.
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| ADME/Pharmacokinetics |
Melilotic acid (MW 166.17) has a molecular formula of C9H10O3. It has a density of 1.260 g/cm³ (Predicted). It is soluble in polar solvents. The compound is stable under standard storage conditions. As an endogenous metabolite, it is absorbed and metabolized through normal metabolic pathways. It is a human xenobiotic metabolite.
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| Toxicity/Toxicokinetics |
The compound is for research use only. No specific toxicity data are available. As an endogenous metabolite, it is expected to have low toxicity at physiological concentrations. Standard safety precautions should be followed.
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| References | |
| Additional Infomation |
3-(2-hydroxyphenyl)propionic acid is a monocarboxylic acid, a derivative of propionic acid, in which a hydrogen atom at the 3-position is replaced by a 2-hydroxyphenyl group. It can be used as a xenobiotic metabolite in humans, bacteria, fungi, and plants. It belongs to the phenolic class of compounds and is a monocarboxylic acid. Its function is related to propionic acid. It is the conjugate acid of 3-(2-hydroxyphenyl)propionic acid ester. 3-(2-hydroxyphenyl)propionic acid has been reported to be found in Melilotus albus, Melilotus officinalis, and other organisms with relevant data. See also: Blueberry leaf (partial).
Melilotic acid (CAS# 495-78-3) is an endogenous metabolite and research reagent used primarily in studies of anti-inflammatory and antioxidant activities, as well as in pharmacological research. It has not been investigated in clinical trials nor approved as a therapeutic drug. The compound may play a role in plant defense mechanisms and has potential applications in food preservation and natural product synthesis. |
| Molecular Formula |
C9H10O3
|
|---|---|
| Molecular Weight |
166.18
|
| Exact Mass |
166.062
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| CAS # |
495-78-3
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| PubChem CID |
873
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
335.9±17.0 °C at 760 mmHg
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| Melting Point |
82 - 83 °C
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| Flash Point |
171.2±17.4 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.580
|
| LogP |
1.1
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
12
|
| Complexity |
156
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC=C(C(=C1)CCC(=O)O)O
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| InChi Key |
CJBDUOMQLFKVQC-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)
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| Chemical Name |
3-(2-hydroxyphenyl)propanoic 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: 250 mg/mL (1504.39 mM)
H2O: ≥ 100 mg/mL (601.76 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (12.52 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 20.8 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (12.52 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (12.52 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.0176 mL | 30.0879 mL | 60.1757 mL | |
| 5 mM | 1.2035 mL | 6.0176 mL | 12.0351 mL | |
| 10 mM | 0.6018 mL | 3.0088 mL | 6.0176 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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