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| ln Vitro |
Agnuside (100 μM, 12–20 h) can decrease the expression of iNOS, COX-2, and IL-8 proteins in RAW264.7 and HT-29 cells stimulated in LPS (1 μg/mL/100 ng/mL); Agnuside (0.1-2500 ng/mL, 20–96 h) can then, in a time- and dose-dependent manner, promote angiogenesis by promoting cell proliferation (EC50= 1.376 µg/mL) in HUVEC [3]. Agnuside (3 μM, 4 h) dramatically decreased LPS (10 μg/ml)-stimulated fibroblast-like synoviocytes (FLS) expression of caspase-1, ASC, NLRP3, HIF-1α, IL-1β, and IL. Inhibiting the factor at -18 levels [4].
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| ln Vivo |
Agnuside (6.25 mg/kg; oral dose; single dose) reduces allergic mediator levels in Balb/C mice in a dose-dependent manner and is anti-allergic mediator [1]. Agnuside (6.25 mg/kg; oral model; single dose) inhibits allergy and autophagy in the Balb/C mouse model [1]. It can reduce synovitis and fibrosis in knee osteoarthritis (KOA) [4].
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| Animal Protocol |
Animal/Disease Models: Balb/C female mouse model [1]
Doses: 30 mg/kg, 60 mg/kg Route of Administration: po (oral gavage) (Bao); single dose; Experimental Results: LC3B expression diminished, Beclin1/p62 expression increased ( LC3B and Beclin1/p62 are autophagy markers). Reduces IgE and IL-4/IL-10 levels in a dose-dependent manner. (IgE and IL-4/IL-10 are allergic inflammatory mediators) Animal/Disease Models: KAO rat model [4] Doses: 6.25 mg sodium iodoacetate (MIA): 1 mg Route of Administration: po (oral gavage); Single dose Experimental Results: Reduce the degree of local hypoxia in the synovial tissue of rats and Dramatically reduce the levels of pro-fibrotic substances in the synovial tissue. Inhibits HIF-1α accumulation and NLRP3 inflammasome activation. |
| References |
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| Additional Infomation |
Agnuside is a benzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with the primary hydroxy group of aucubin. It is an iridoid glycoside found in several Vitex plants including Vitex agnus-castus. It has a role as a plant metabolite, an anti-inflammatory agent, a pro-angiogenic agent and a cyclooxygenase 2 inhibitor. It is a terpene glycoside, an iridoid monoterpenoid, a benzoate ester, a member of phenols, a beta-D-glucoside, a cyclopentapyran and a monosaccharide derivative. It is functionally related to an aucubin.
Agnuside has been reported in Vitex negundo, Castilleja tenuiflora, and other organisms with data available. See also: Chaste tree fruit (part of); Vitex negundo leaf (part of). |
| Molecular Formula |
C22H26O11
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|---|---|
| Molecular Weight |
466.4352
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| Exact Mass |
466.147
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| CAS # |
11027-63-7
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| PubChem CID |
442416
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| Appearance |
White to yellow solid powder
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
785.5±60.0 °C at 760 mmHg
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| Melting Point |
134-136ºC
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| Flash Point |
273.5±26.4 °C
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| Vapour Pressure |
0.0±2.9 mmHg at 25°C
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| Index of Refraction |
1.681
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| LogP |
-1.24
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| Hydrogen Bond Donor Count |
6
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
33
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| Complexity |
747
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| Defined Atom Stereocenter Count |
9
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| SMILES |
O(C1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])C1([H])C2([H])C(C([H])([H])OC(C3C([H])=C([H])C(=C([H])C=3[H])O[H])=O)=C([H])C([H])(C2([H])C([H])=C([H])O1)O[H]
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| InChi Key |
GLACGTLACKLUJX-QNAXTHAFSA-N
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| InChi Code |
InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1
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| Chemical Name |
[(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~214.39 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.36 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 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.36 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 25.0 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: ≥ 2.5 mg/mL (5.36 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 | 2.1439 mL | 10.7195 mL | 21.4390 mL | |
| 5 mM | 0.4288 mL | 2.1439 mL | 4.2878 mL | |
| 10 mM | 0.2144 mL | 1.0719 mL | 2.1439 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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