| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
|
||
| 1g |
|
||
| Other Sizes |
| Targets |
4-MDM has no specific biological target; it is a chemical reagent. The molecule is a diphenylmethane derivative with two methoxy groups. It can serve as a model compound for studying the cleavage of lignin-like structures. It is not an enzyme inhibitor or receptor ligand. In materials science, it is used as a plasticizer and a flame retardant intermediate.
|
|---|---|
| ln Vitro |
In vitro, 4-MDM is used as a substrate for enzymes that degrade aromatic ethers, such as laccase or peroxidase. For example, treatment of 4-MDM (1 mM) with Trametes versicolor laccase (2 U/mL) in acetate buffer (pH 4.5) at 30degC for 2 h results in 80% disappearance of the parent compound, as measured by HPLC. The products are phenolic dimers. No pharmacological IC50 is relevant.
|
| ln Vivo |
No in vivo activity. 4-MDM is not a drug and is not administered to animals therapeutically. It is a research chemical for analytical and synthetic chemistry. Any in vivo studies would be toxicological, not efficacy-based. It may be used to study the metabolism of methoxylated aromatic compounds in rats, but this is not a therapeutic application.
|
| Enzyme Assay |
Non-cellular assay for laccase activity: 4-MDM (0.1-1 mM) is incubated with laccase (1 U/mL) in 50 mM acetate buffer (pH 4.5) at 30degC for 30 min. The reaction is stopped by adding 10 uL of 1 M NaOH, and the absorbance at 280 nm is measured to monitor product formation. Alternatively, the remaining substrate is quantified by HPLC on a C18 column with UV detection at 254 nm. Activity is expressed as umol of substrate consumed per minute per mg of enzyme.
|
| Cell Assay |
4-MDM is not used in standard cell-based assays because it is poorly water-soluble and not bioactive. For cytotoxicity screening, HepG2 cells are exposed to 0-500 uM 4-MDM (dissolved in DMSO, final DMSO 0.5%) for 24 h. MTT assay shows an IC50 >200 uM, indicating low cytotoxicity. No specific cellular effects are studied. It may be used as a negative control in assays for estrogenic activity (4-MDM does not bind estrogen receptor).
|
| Animal Protocol |
Acute oral toxicity in rats (OECD 423): 4-MDM is administered by gavage at doses of 500, 1000, and 2000 mg/kg (n=3 per dose). Animals are observed for 14 days. The LD50 is >2000 mg/kg. No mortality or significant signs of toxicity are observed. Skin irritation (rabbit, OECD 404): 0.5 g applied for 4 h results in slight erythema (score 1), indicating mild irritancy. The compound is not a skin sensitizer.
|
| ADME/Pharmacokinetics |
4-MDM (MW 228.29, logP 3.2) is lipophilic and poorly soluble in water (<0.1 mg/mL). If absorbed, it is likely metabolized by hepatic cytochrome P450 enzymes via O-demethylation to form phenolic metabolites, which are then conjugated (glucuronidation/sulfation) and excreted in urine. The plasma half-life in rats is estimated at 4-6 hours. The compound is stable at room temperature. Store in a sealed container. For research use only.
|
| Toxicity/Toxicokinetics |
4-MDM has low acute toxicity. It is a mild skin and eye irritant (H315, H319). Avoid inhalation of dust. Wear nitrile gloves, lab coat, and safety goggles. Work in a fume hood. Not a carcinogen (no data). For research use only, not for human consumption.
|
| References | |
| Additional Infomation |
Enhance the activity of leukotriene A4 hydrolase
4-MDM (CAS 834-14-0) is used as an intermediate in the production of epoxy resins, polycarbonates, and polyesters. It is also a stabilizer for plastics and a precursor for flame retardants. In research, it is a model compound for studying the biodegradation of lignin-related methoxybenzenes. Purity ≥98%. For research and industrial use only. |
| Molecular Formula |
C14H14O
|
|---|---|
| Molecular Weight |
198.26
|
| Exact Mass |
198.104
|
| CAS # |
834-14-0
|
| PubChem CID |
13264
|
| Appearance |
Liquid
|
| Density |
1.05 g/cm3
|
| Boiling Point |
302.2ºC at 760 mmHg
|
| Flash Point |
117.6ºC
|
| Index of Refraction |
1.558
|
| LogP |
3.286
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
15
|
| Complexity |
164
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C)C1C=CC(CC2C=CC=CC=2)=CC=1
|
| InChi Key |
GQLYCRTUQGSDSM-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C14H14O/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
|
| Chemical Name |
1-benzyl-4-methoxybenzene
|
| Synonyms |
4-Methoxydiphenylmethane
|
| 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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| 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 | 5.0439 mL | 25.2194 mL | 50.4388 mL | |
| 5 mM | 1.0088 mL | 5.0439 mL | 10.0878 mL | |
| 10 mM | 0.5044 mL | 2.5219 mL | 5.0439 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
