| Size | Price | Stock | Qty |
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| 500mg |
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| Other Sizes |
| Targets |
Dimethyl 4-hydroxyisophthalate is a methyl salicylate analog. As a phthalate ester, it may interact with cellular targets involved in endocrine signaling. The compound is used as a chemical intermediate in the synthesis of pharmaceuticals and other organic compounds. Its specific molecular targets are not well-characterized, but its structural similarity to methyl salicylate suggests potential interactions with similar biological pathways.
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| ln Vitro |
In vitro, Dimethyl 4-hydroxyisophthalate is used as a chemical intermediate and building block in organic synthesis. The compound serves as an analog of methyl salicylate. It is utilized in research for the synthesis of pharmaceuticals and other bioactive compounds. Its chemical properties, including purity (≥97%) and melting point, have been characterized. Further in vitro studies are needed to fully characterize its biological activity.
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| ln Vivo |
In vivo, Dimethyl 4-hydroxyisophthalate is not typically used as a therapeutic agent but as a chemical intermediate. As a phthalate ester, it may have potential endocrine-disrupting effects. The compound is used in research for the synthesis of pharmaceuticals and other organic compounds. Further in vivo studies are needed to fully characterize its toxicological and pharmacokinetic properties.
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| Enzyme Assay |
In vitro enzyme assays for Dimethyl 4-hydroxyisophthalate are limited as the compound is primarily a chemical intermediate rather than a biologically active compound. The compound may be used as a substrate or inhibitor in enzyme studies related to ester hydrolysis or phthalate metabolism. For analytical applications, the compound is characterized by GC, HPLC, or other analytical methods. Assays are performed in appropriate buffer systems with positive controls.
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| Cell Assay |
Dimethyl 4-hydroxyisophthalate cell-based assays are limited as the compound is primarily a chemical intermediate. For toxicity studies, cells are cultured in appropriate media and treated with the compound at varying concentrations. Cell viability is assessed by standard assays. The compound's potential endocrine-disrupting effects as a phthalate ester may be evaluated in relevant cell models. Experiments are performed with appropriate positive and negative controls.
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| Animal Protocol |
Dimethyl 4-hydroxyisophthalate in vivo studies are limited as the compound is primarily a chemical intermediate. For toxicological evaluation, animals are administered the compound via oral administration or injection. Endocrine effects and organ toxicity are assessed. The compound's metabolism and excretion are studied. Animals are monitored for clinical signs. Tissues and blood samples are collected for histopathological and biochemical analysis at study endpoints. Studies are conducted in accordance with institutional animal care guidelines.
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| ADME/Pharmacokinetics |
Dimethyl 4-hydroxyisophthalate (MW 210.18 g/mol, C10H10O5) is a methyl salicylate analog and phthalate ester. It appears as a white to almost white powder to crystal with a melting point of 95.0 to 99.0 °C. The compound is stable at room temperature. It is soluble in organic solvents. Pharmacokinetic parameters such as half-life, bioavailability, and tissue distribution would be determined in species-specific studies.
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| Toxicity/Toxicokinetics |
Dimethyl 4-hydroxyisophthalate is generally well-tolerated as a chemical intermediate. The compound is a phthalate ester with potential endocrine-disrupting effects. No significant adverse effects have been reported in the available literature at research-use concentrations. The compound is intended for research use only. Standard safety precautions should be followed when handling. Comprehensive toxicological evaluation would be required for therapeutic development.
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| Additional Infomation |
Dimethyl 4-hydroxyisophthalate is a phthalate ester.
Dimethyl 4-hydroxyisophthalate is a methyl salicylate analog and phthalate ester. It is a dimethyl ester of 4-hydroxyisophthalic acid with the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. The compound appears as a white to almost white powder to crystal with a melting point of 95.0 to 99.0 °C. It is used as a chemical intermediate in organic synthesis. All applications are limited to non-human research use. |
| Molecular Formula |
C10H10O5
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|---|---|
| Molecular Weight |
210.1834
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| Exact Mass |
210.052
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| CAS # |
5985-24-0
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| PubChem CID |
80087
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| Appearance |
White to gray solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
304.9±22.0 °C at 760 mmHg
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| Melting Point |
97ºC
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| Flash Point |
117.0±15.8 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.544
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| LogP |
2.89
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
15
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| Complexity |
250
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(OC)C1=CC(C(OC)=O)=CC=C1O
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| InChi Key |
ALBUJVBOIXVVLS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H10O5/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2/h3-5,11H,1-2H3
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| Chemical Name |
dimethyl 4-hydroxybenzene-1,3-dicarboxylate
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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 : ~25 mg/mL (~118.95 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 | 4.7578 mL | 23.7891 mL | 47.5783 mL | |
| 5 mM | 0.9516 mL | 4.7578 mL | 9.5157 mL | |
| 10 mM | 0.4758 mL | 2.3789 mL | 4.7578 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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