| Size | Price | Stock | Qty |
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| 5mg |
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| 10g |
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| Other Sizes |
| Targets |
The specific molecular target of isoacetovanillone was not directly determined in this study. However, by structural analogy to acetovanillone (apocynin), it is suggested that isoacetovanillone might inhibit NADPH oxidase, which is involved in the formation of reactive oxygen species. No IC50, Ki, EC50, or DC50 values are reported. [1]
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| ln Vivo |
Oral administration of isoacetovanillone at doses of 2, 5, and 10 mg/kg (p.o.) significantly reduced acetic acid-induced colonic inflammation in rats.
The mean percentage decrease in myeloperoxidase (MPO) activity in the isoacetovanillone (5 mg/kg) treated group was 40% compared to the negative control group. [1] isoacetovanillone reduced ulcer area in a dose-dependent manner; the mean percentage reduction in ulcer area relative to the negative control group was 70% for the 10 mg/kg dose. [1] Both 2, 5, and 10 mg/kg doses of isoacetovanillone significantly reduced the colonic weight/length ratio (an indicator of tissue edema) compared to the negative control group. [1] isoacetovanillone (10 mg/kg) reduced the total colitis index (microscopic and histopathological score) by 40% compared to the negative control group. [1] |
| Enzyme Assay |
Myeloperoxidase (MPO) activity was measured in colon tissue homogenates as a quantitative marker of neutrophil infiltration and inflammation. Tissues were weighed and placed in 10 mM potassium phosphate buffer containing 0.5% hexadecyltrimethylammonium bromide (HTAB), then homogenized at 4°C. The suspensions were centrifuged at 20000 rpm for 15 minutes. To determine MPO activity, O-dianisidine dihydrochloride (1.6 mM) and hydrogen peroxide (0.1 mM) were added to the supernatant. The absorbance of the reaction mixture was recorded at 450 nm using a UV-Vis spectrophotometer. Results were expressed as units per 100 g of wet colon weight. [1]
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| Animal Protocol |
Male Wistar rats weighing 200 ± 20 g were used. isoacetovanillone was prepared as a 2 mg/ml stock solution in 5% ethanol. The compound was administered orally (p.o.) at doses of 2, 5, and 10 mg/kg. Treatment started 2 hours before induction of colitis and continued daily for 5 consecutive days. Colitis was induced by intrarectal administration of 2 ml of 3% acetic acid in lightly anesthetized animals. Rats were held upside-down for 2-3 minutes to prevent leakage. Sham group received normal saline intrarectally. Negative control group received vehicle (5% ethanol, 2 ml/rat, p.o.). Animals were sacrificed on the sixth day, and the distal colon (8 cm from anus) was removed for macroscopic, histological, and biochemical assessment. [1]
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| References | |
| Additional Infomation |
Isoacetovanillone belongs to the phenolic and methoxybenzene classes and is a metabolite. 1-(3-hydroxy-4-methoxyphenyl)ethyl ketone has been reported in Rhododendron ferrugineum, Zangbalan Protamnus, and Saussurea involucrata, and relevant data are available.
isoacetovanillone is a structural isomer of acetovanillone (apocynin). Acetovanillone has been shown to reduce colonic damage in colitis and attenuate inflammation related to MPO activity, as well as reduce the number of macrophages and mononuclear leukocytes in the colon. Based on this structural similarity, the study hypothesized and confirmed that isoacetovanillone also possesses anti-inflammatory and anti-colitis activity. isoacetovanillone has previously been shown to inhibit 5-hydroxytryptamine (serotonin)-induced spasm in isolated ileum, which is another rationale for its potential use in colitis. In this acetic acid-induced rat colitis model, the anti-inflammatory effect of isoacetovanillone was comparable to that of prednisolone in several parameters (e.g., reduction of MPO activity and ulcer index), though prednisolone showed greater reduction in total colitis index (69% vs 40% for isoacetovanillone 10 mg/kg). [1] |
| Molecular Formula |
C9H10O3
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|---|---|
| Molecular Weight |
166.1739
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| Exact Mass |
166.062
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| CAS # |
6100-74-9
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| PubChem CID |
95693
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| Appearance |
Off-white to light yellow solid
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
329.9±27.0 °C at 760 mmHg
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| Melting Point |
88-92ºC
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| Flash Point |
135.7±17.2 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.538
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| LogP |
1.25
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
12
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| Complexity |
167
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C([H])([H])[H])C1C([H])=C([H])C(C(C([H])([H])[H])=O)=C([H])C=1O[H]
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| InChi Key |
YLTGFGDODHXMFB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H10O3/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-5,11H,1-2H3
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| Chemical Name |
1-(3-hydroxy-4-methoxyphenyl)ethanone
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| Synonyms |
Acetoisovanillone; 3-Hydroxy-4-methoxyacetophenone
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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 : ~50 mg/mL (~300.90 mM)
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.0179 mL | 30.0897 mL | 60.1793 mL | |
| 5 mM | 1.2036 mL | 6.0179 mL | 12.0359 mL | |
| 10 mM | 0.6018 mL | 3.0090 mL | 6.0179 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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