| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Multiple targets: chemokine release (CXCL1/KC, CXCL2/MIP-2) and neutrophil migration; Chikungunya virus infection; Trypanosoma brucei and T. congolense (EC50 3.86 and 4.36 μg/mL); DPPH radical scavenging (IC50 42.20 μg/mL); the compound is a multi-target phytoalexin with anti-inflammatory, antiviral and antiprotozoal activities.
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|---|---|
| ln Vitro |
DPPH IC50 = 42.20 μg/mL (antioxidant, comparable to catechin); anti-trypanosomal EC50 = 3.86 μg/mL (T. brucei) and 4.36 μg/mL (T. congolense); antiviral activity against Chikungunya virus; inhibition of CXCL1/CXCL2 release and neutrophil migration; CC50 = 88.99 μg/mL with IC50 = 17.29 μg/mL in a cytotoxicity/antiviral assay (SI 5.15).
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| ln Vivo |
No dedicated in vivo efficacy data (doses, disease models, functional endpoints) are summarized in the retrieved sources; the compound is characterized by in vitro anti-inflammatory, antiviral, antiprotozoal and antioxidant activities, but specific animal-model results have not been detailed in the available datasheets.
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| Enzyme Assay |
Antioxidant/anti-inflammatory assay: measure DPPH/ABTS radical scavenging (IC50 42.20 μg/mL) and ferric-reducing antioxidant power; in LPS-stimulated macrophages, quantify CXCL1/CXCL2 and TNF-α/IL-6 by ELISA, and assess NF-κB p65 phosphorylation by immunoblot to confirm anti-inflammatory activity.
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| Cell Assay |
Antiviral/antiprotozoal assay: infect cells with Chikungunya virus or culture T. brucei/T. congolense in the presence of serial Vestitol dilutions, measure viral replication or parasite viability by plaque assay/resazurin (EC50 3.86–4.36 μg/mL), and calculate the selectivity index using CC50 values (88.99 μg/mL).
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| Animal Protocol |
Inflammation/infection model protocol: administer Vestitol to mice by intraperitoneal or oral route at doses from a pilot PK/tolerability study, and assess neutrophil migration (peritonitis model), chemokine levels, and parasite/viral burden in infection models; no validated in vivo dose–response has been disclosed.
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| References | |
| Additional Infomation |
Vestitol is a hydroxyisoflavone compound with a structure in which hydroxyl groups are substituted at the 7' and 2' positions, and a methoxy group is substituted at the 4' position. It was isolated from licorice (Glycyrrhiza uralensis) and possesses anti-inflammatory activity. Vestitol can function as an anti-inflammatory agent, a plant metabolite, and a phytoalexin. It is an aromatic ether belonging to the hydroxyisoflavone and methoxyisoflavone classes. Vestitol has been reported to be found in licorice (Glycyrrhiza uralensis), alfalfa (Medicago rugosa), and other organisms with relevant data. See also: (+)-Vestitol (note moved here).
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| Molecular Formula |
C16H16O4
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|---|---|
| Molecular Weight |
272.29584
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| Exact Mass |
272.104
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| CAS # |
56701-24-7
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| PubChem CID |
92503
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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 |
418.5±45.0 °C at 760 mmHg
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| Melting Point |
172-179℃
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| Flash Point |
206.9±28.7 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.623
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| Source |
Originated from plants: Leguminosae Trifolium arvense L.
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| LogP |
3.02
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| tPSA |
58.92
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
20
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| Complexity |
322
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COc1ccc(c(c1)O)C2Cc3ccc(cc3OC2)O
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| InChi Key |
XRVFNNUXNVWYTI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3
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| Chemical Name |
3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
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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 (~367.2 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.18 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 (9.18 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 (9.18 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 | 3.6724 mL | 18.3621 mL | 36.7242 mL | |
| 5 mM | 0.7345 mL | 3.6724 mL | 7.3448 mL | |
| 10 mM | 0.3672 mL | 1.8362 mL | 3.6724 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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