| Size | Price | |
|---|---|---|
| 1mg | ||
| 5mg | ||
| 10mg | ||
| Other Sizes |
| ADME/Pharmacokinetics |
Metabolism / Metabolites
Alternaria methyl ether is metabolized in hepatic microsomes, preferentially at aromatic sites. It can also be demethylated to form alternaria methyl ether. Aromatic hydroxylation products are catechols or hydroquinones, which can form reactive semiquinones and quinones, or undergo redox cycles. (A2981) |
|---|---|
| Toxicity/Toxicokinetics |
Toxicity Summary
Alternaria methyl ether has been shown to be genotoxic and mutagenic. It exhibits a variety of DNA-damaging activities, such as single-strand and double-strand DNA breaks, DNA intercalation and cross-linking, as well as inducing DNA repair synthesis and inhibiting DNA replication. These effects are thought to be at least partly attributed to its ability to bind to the minor groove of DNA with high affinity, thereby inhibiting the activity of DNA-acting enzymes such as topoisomerases. (A2977, A2978, A2979) |
| References | |
| Additional Infomation |
Djalonensone is a benzo[a]chromenone, a derivative of Alternaria solaniol, in which the 9-hydroxyl group is converted to the corresponding methyl ether. It is a natural product found in Chaetomium globosum and is one of the two most important compounds among Alternaria fungal toxins. It possesses multiple functions as an antifungal agent, fungal metabolite, and fungal toxin. It is a benzo[a]chromenone and aromatic ether functionally related to Alternaria solaniol. Alternaria solaniol monomethyl ether has been reported in Alternaria porri, Sarocladium strictum, and other organisms with relevant data. Alternaria solaniol methyl ether is an Alternaria fungal toxin. Alternaria fungal toxins are significant contaminants in grains, vegetables, fruits, and on soil, wood, or walls. Studies have shown that the metabolites are toxic, genotoxic, mutagenic, and carcinogenic. Of particular note is the close association of the metabolites with esophageal cancer in humans. (A2977, A2979)
|
| Molecular Formula |
C15H12O5
|
|---|---|
| Molecular Weight |
272.26
|
| Exact Mass |
272.068
|
| CAS # |
23452-05-3
|
| Related CAS # |
Djalonensone-d3;2468774-90-3
|
| PubChem CID |
5360741
|
| Appearance |
Off-white to light yellow solid powder
|
| Density |
1.427g/cm3
|
| Boiling Point |
559.2ºC at 760mmHg
|
| Flash Point |
217.4ºC
|
| Vapour Pressure |
0mmHg at 25°C
|
| Index of Refraction |
1.665
|
| LogP |
2.674
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
20
|
| Complexity |
385
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
LCSDQFNUYFTXMT-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
|
| Chemical Name |
3,7-dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 : 5 mg/mL (18.36 mM)
|
|---|---|
| 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 | 3.6730 mL | 18.3648 mL | 36.7296 mL | |
| 5 mM | 0.7346 mL | 3.6730 mL | 7.3459 mL | |
| 10 mM | 0.3673 mL | 1.8365 mL | 3.6730 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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