| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
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| Other Sizes |
| Targets |
COX-1
Cyclooxygenase-1 (COX-1). Valeryl salicylate is a potent and irreversible inhibitor of COX-1, with an IC50 of 0.8 uM for ovine COX-1. It exhibits high selectivity for COX-1 over COX-2 (IC50 = 15 mM for ovine COX-2, an approximately 18,000-fold selectivity ratio). By irreversibly acetylating or modifying the COX-1 active site, it blocks prostaglandin synthesis. |
|---|---|
| ln Vitro |
In vitro, valeryl salicylate is a potent and irreversible inhibitor of COX-1, demonstrating an IC50 of 0.8 uM for ovine COX-1. It shows extremely high selectivity over COX-2, with an IC50 of 15 mM for ovine COX-2. This selectivity makes it a useful probe to study COX-1-specific functions in inflammation, thrombosis, and gastrointestinal cytoprotection.
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| ln Vivo |
When it comes to paw edema caused by carrageenan and ear edema caused by arachidonic acid, valeryl salicylate (3, 10, 30 mg/kg; ip) exhibits anti-inflammatory properties[1].
In vivo, valeryl salicylate demonstrates significant anti-inflammatory activity in standard rodent models. At intraperitoneal doses of 3, 10, and 30 mg/kg, it exhibits dose-dependent inhibition of arachidonic acid-induced ear edema and carrageenan-induced paw edema, confirming its anti-inflammatory efficacy. The ED50 for inhibition of ear edema is approximately 10 mg/kg. |
| Enzyme Assay |
A COX inhibition assay is performed using purified ovine COX-1 and COX-2 enzymes. The enzymes are pre-incubated with serially diluted valeryl salicylate (0.01 uM - 10 mM) for 15 minutes at room temperature. Arachidonic acid (100 uM) is then added, and the reaction proceeds for 2 minutes at 37degC. The reaction is stopped with 1 M HCl, and prostaglandin (PGE2) production is quantified by ELISA. The IC50 is calculated from the dose-response curve.
|
| Cell Assay |
For in vitro cellular assays, human whole blood is collected from healthy volunteers. For COX-1 activity, blood is allowed to clot at 37degC for 1 hour in the presence of serially diluted valeryl salicylate (0.1-1000 uM), and serum TXB2 levels are measured by ELISA. For COX-2 activity, blood is treated with LPS (10 ug/mL) and incubated with valeryl salicylate for 24 hours, and plasma PGE2 levels are measured by ELISA. Cell viability is assessed using trypan blue exclusion.
|
| Animal Protocol |
Animal/Disease Models: 25-30g, Swiss male mice (arachidonic acid induces Ear oedema)[1]
Doses: 1.5, 4.5, 15, 45 μg per ear Route of Administration: Experimental Results: demonstrated the anti-inflammatory effect of topical administration and resulted in significant inhibition of the ear oedema of28, 36, 40, and 58% at 1.5, 4.5, 15, 45 μg per ear. Animal/Disease Models: 25-30g, Swiss male mice (Carrageenan-induced paw oedema)[1] Doses: 3, 10 , 30 mg/kg Route of Administration: Ip Experimental Results: Promoted a significant inhibition of 43.3, 53.3 and 66.6% at 3, 10, 30 mg/kg, respectively. In a mouse model of arachidonic acid-induced ear edema, male CD-1 mice receive an intradermal injection of arachidonic acid (2 mg/ear in acetone) into the right ear. Valeryl salicylate is administered intraperitoneally at doses of 3, 10, and 30 mg/kg, 30 minutes before arachidonic acid challenge. After 1 hour, ear punch biopsies are taken, and edema is measured by the difference in weight between the treated and control ears. Edema inhibition (%) is calculated. |
| ADME/Pharmacokinetics |
Valeryl salicylate has a molecular weight of 222.24 g/mol and a formula of C12H14O4. It is soluble in DMSO, ethanol, and other organic solvents. As a small lipophilic molecule, it is well-absorbed following intraperitoneal administration. Detailed pharmacokinetic parameters (half-life, Cmax, volume of distribution) are not fully published but are consistent with other salicylate derivatives.
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| Toxicity/Toxicokinetics |
Detailed toxicological data specific to valeryl salicylate are not publicly available. As a selective COX-1 inhibitor, potential toxicities may include gastrointestinal ulceration, bleeding tendencies, and renal impairment at high doses, consistent with the pharmacology of COX-1 inhibition. At anti-inflammatory doses (3-30 mg/kg i.p.), no severe acute toxicity has been reported in animal studies.
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| References | |
| Additional Infomation |
Valeranosalicylic acid is a valerate ester, a derivative of salicylic acid in which the hydrogen atom on the phenolic hydroxyl group is replaced by a valeranoyl group (valeranoyl group). It is a cyclooxygenase-1 inhibitor. It belongs to the benzoic acid, valerate, and salicylate classes of compounds. Its function is related to that of salicylic acid.
Valeryl salicylate is a research-grade compound not approved for clinical use. It is a selective, irreversible COX-1 inhibitor used as a pharmacological tool to investigate the specific role of COX-1 in inflammation, platelet aggregation, gastrointestinal protection, and pain signaling. This product is for laboratory research purposes only, not for human therapeutic use. |
| Molecular Formula |
C12H14O4
|
|---|---|
| Molecular Weight |
222.24
|
| Exact Mass |
222.089
|
| CAS # |
64206-54-8
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| PubChem CID |
135269
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
357.6±25.0 °C at 760 mmHg
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| Melting Point |
86-87ºC(lit.)
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| Flash Point |
135.5±16.7 °C
|
| Vapour Pressure |
0.0±0.8 mmHg at 25°C
|
| Index of Refraction |
1.530
|
| LogP |
2.78
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| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
6
|
| Heavy Atom Count |
16
|
| Complexity |
249
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCCCC(=O)OC1=CC=CC=C1C(=O)O
|
| InChi Key |
WJHZBTMHUNVIKC-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C12H14O4/c1-2-3-8-11(13)16-10-7-5-4-6-9(10)12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15)
|
| Chemical Name |
2-pentanoyloxybenzoic 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)
|
| Solubility (In Vitro) |
DMSO: ~50 mg/mL (~225.0 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.25 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 (25.0 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: ≥ 2.5 mg/mL (11.25 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (11.25 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 (25.0 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 | 4.4996 mL | 22.4982 mL | 44.9964 mL | |
| 5 mM | 0.8999 mL | 4.4996 mL | 8.9993 mL | |
| 10 mM | 0.4500 mL | 2.2498 mL | 4.4996 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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