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| Other Sizes |
| Targets |
The primary targets of 1,4-Dimethoxybenzene include pathways involved in anxiety modulation, as it has demonstrated anti-anxiety effects. It also affects lipid metabolism, increasing atherogenic index levels and inducing sedentary behavior. As an endogenous metabolite, it may interact with various physiological pathways. The compound serves as a scaffold in drug discovery for designing novel drug candidates. These targets make it relevant for research in neuroscience, metabolism, and drug development.
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| ln Vitro |
In vitro, 1,4-Dimethoxybenzene is studied as an endogenous metabolite and a fragment molecule for drug discovery. It serves as a scaffold for molecular splicing, expansion, and modification in the design of novel drug candidates. The compound's effects on lipid metabolism and behavior are primarily studied in vivo rather than in vitro. As a building block, it is used in synthetic chemistry for the preparation of various bioactive compounds. These in vitro activities support its use in drug discovery and synthetic chemistry.
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| ln Vivo |
In vivo, 1,4-Dimethoxybenzene demonstrates anti-anxiety effects in animal models. It increases atherogenic index (AI) levels in rabbits and induces sedentary behavior. Sedentary behavior may increase blood cholesterol levels and disrupt blood lipids. The compound is metabolized in rabbits to produce p-methoxyphenol. It is considered not clastogenic in the in vivo micronucleus test. These in vivo effects make it relevant for research on anxiety, lipid metabolism, and behavioral studies.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for 1,4-Dimethoxybenzene are not typically conducted, as it is primarily studied as an endogenous metabolite and fragment molecule. However, its metabolism can be studied using liver microsomes or recombinant enzymes to assess the formation of p-methoxyphenol. The compound is incubated with enzyme preparations at concentrations ranging from 0.1-1000 μM, and metabolites are analyzed by HPLC or LC-MS. All assays include appropriate controls and reference compounds.
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| Cell Assay |
In vitro cell-based assays for 1,4-Dimethoxybenzene are limited, as the compound is primarily studied in vivo. However, cell-based assays may be used to assess its effects on lipid metabolism or as a scaffold in drug discovery. Cells are treated with compound concentrations ranging from 0.1-1000 μM for 24-72 hours. Cell viability is assessed using MTT assays. Lipid accumulation may be measured using Oil Red O staining. Experiments include vehicle controls. The compound is also used as a building block in synthetic chemistry for preparing bioactive molecules.
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| Animal Protocol |
In vivo animal studies with 1,4-Dimethoxybenzene are conducted in rabbits and other rodent models. The compound is administered via oral or intraperitoneal routes at doses ranging from 1-100 mg/kg. Anti-anxiety effects are assessed using behavioral tests such as the elevated plus maze or open field test. Atherogenic index is measured by analyzing blood lipid profiles. Sedentary behavior is monitored by activity tracking. The in vivo micronucleus test is used to assess clastogenicity. Each group consists of 6-10 animals with vehicle-treated controls.
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| ADME/Pharmacokinetics |
Metabolism / Metabolites
1,4-Dimethoxybenzene is metabolized in rabbits to produce p-methoxyphenol. /Data from tables/ Pharmacokinetic properties of 1,4-Dimethoxybenzene include its metabolism in rabbits to produce p-methoxyphenol. As a small, lipophilic molecule (MW 138.16, C8H10O2), it is expected to have good oral bioavailability and tissue distribution. The compound is an endogenous metabolite and likely undergoes hepatic metabolism through O-demethylation and conjugation, with elimination via renal excretion. Detailed PK parameters such as half-life, Cmax, and AUC require further investigation. |
| Toxicity/Toxicokinetics |
Toxicity Summary
Identification and Uses: Hydroquinone dimethyl ether is a white flake or flaky substance. It has a sweet clover or nutty odor and an oily phenolic taste. It is slightly soluble in water and very soluble in ether, benzene, alcohol, and acetone. It is used as a flavoring agent, a weathering agent in paints and plastics, a fixative in perfumes, and also in dyes, resin intermediates, cosmetics, and flavorings. Human Exposure and Toxicity: Chronic neurotoxicity includes visual impairment. Exposure to this chemical may originate from industrial processes. Animal Studies: Growth outcomes in female rats fed diets containing 2% or higher concentrations of this chemical are inconclusive. Dogs fed hydroquinone ether showed only slight weight loss. Olive oil solutions containing this chemical caused mild to moderate skin irritation in guinea pigs. Toxicological data for 1,4-Dimethoxybenzene indicate that it is considered not clastogenic in the in vivo micronucleus test. No significant toxicity has been reported at typical research doses. As an endogenous metabolite, it is expected to have a favorable safety profile. However, comprehensive toxicological studies are limited. As with all research chemicals, appropriate safety precautions should be taken during handling, and the compound should be used only for research and analytical applications. |
| Additional Infomation |
1,4-Dimethoxybenzene is a colorless crystal. (NTP, 1992)
1,4-Dimethoxybenzene is a dimethoxybenzene. It has been reported that 1,4-dimethoxybenzene exists in water lilies (Nymphaea rudgeana), yarrow (Achillea abrotanoides), and other organisms with relevant data. 1,4-Dimethoxybenzene is an endogenous metabolite with anti-anxiety effects that increases atherogenic index levels and induces sedentary behavior in rabbits. It is metabolized to p-methoxyphenol and is considered not clastogenic. The compound serves as a fragment molecule and scaffold for drug discovery. It is used in research on anxiety, lipid metabolism, and drug development. Not approved for clinical therapeutic use; intended for research purposes only. |
| Molecular Formula |
C₈H₁₀O₂
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|---|---|
| Molecular Weight |
138.16
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| Exact Mass |
138.068
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| CAS # |
150-78-7
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| Related CAS # |
1,4-Dimethoxybenzene-d10;74079-00-8
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| PubChem CID |
9016
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| Appearance |
White to off-white solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
212.6±0.0 °C at 760 mmHg
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| Melting Point |
54-56 °C(lit.)
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| Flash Point |
73.5±19.4 °C
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| Vapour Pressure |
0.3±0.4 mmHg at 25°C
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| Index of Refraction |
1.488
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| LogP |
2.1
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
10
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| Complexity |
73.3
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
OHBQPCCCRFSCAX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
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| Chemical Name |
1,4-dimethoxybenzene
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| Synonyms |
1,4Dimethoxybenzene; 1,4 Dimethoxybenzene
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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 (~723.80 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (18.09 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 (18.09 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 (18.09 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 | 7.2380 mL | 36.1899 mL | 72.3798 mL | |
| 5 mM | 1.4476 mL | 7.2380 mL | 14.4760 mL | |
| 10 mM | 0.7238 mL | 3.6190 mL | 7.2380 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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