| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| Other Sizes |
| Targets |
Monomethyl phthalate does not have a specific pharmacological target as it is a metabolite and biomarker rather than a therapeutic drug. It is a breakdown product of dimethyl phthalate and is used as a urinary biomarker for phthalate exposure. Its "target" in research is as an indicator of environmental exposure to phthalates, which are known endocrine disruptors. The compound is associated with thyroid health, serving as a detection marker for thyroid cancer and benign nodules.
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|---|---|
| ln Vitro |
In vitro activity of Monomethyl phthalate is not evaluated as a bioactive compound with pharmacological effects. Instead, its utility lies in its role as a biomarker. It may be used in in vitro assays to study phthalate metabolism or to validate analytical methods for detecting phthalate exposure. Its "activity" is reflected in its presence in biological samples as a measure of exposure to phthalates rather than as a compound with direct biological activity.
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| ln Vivo |
In vivo, Monomethyl phthalate is a urinary metabolite that reflects exposure to dimethyl phthalate and other phthalates. It serves as a biomarker for phthalate exposure in human and animal studies. Levels of monomethyl phthalate in urine are measured to assess the extent of phthalate exposure and to study the association between phthalate exposure and health outcomes, including thyroid cancer and benign nodules. It is not administered as a therapeutic agent but is measured as a marker of environmental exposure.
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| Enzyme Assay |
In vitro enzyme assays with Monomethyl phthalate typically involve studying esterases that hydrolyze phthalate esters to their monoester metabolites. The compound can be used as a substrate or product in assays to characterize the activity of these enzymes. Standard assays involve incubating the compound with enzyme preparations in appropriate buffers, and the reaction products are analyzed by HPLC or LC-MS. These assays provide mechanistic insights into phthalate metabolism and the enzymes involved in their biotransformation.
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| Cell Assay |
Monomethyl phthalate is not typically used in cell culture experiments as a bioactive compound. However, it may be employed in studies investigating the effects of phthalate metabolites on cellular function. Cells such as thyroid cells or other endocrine cells could be treated with the compound to assess its potential endocrine-disrupting effects. Standard cell culture protocols would involve treatment durations of 24-72 hours and assessment of cell viability, hormone production, or gene expression changes. The compound's primary use, however, is as an analytical standard for biomarker measurement.
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| Animal Protocol |
In vivo animal experiments with Monomethyl phthalate typically involve administering phthalate esters (e.g., dimethyl phthalate) to animals and measuring monomethyl phthalate levels in urine as a biomarker of exposure. Alternatively, the compound itself could be administered to study its pharmacokinetics and metabolism. These studies are used to understand the metabolic fate of phthalates, their distribution, and their potential toxicological effects. The compound serves as a marker for exposure assessment in toxicological studies.
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| ADME/Pharmacokinetics |
The pharmacokinetic (PK) properties of Monomethyl phthalate reflect its role as a metabolite. Following exposure to dimethyl phthalate or other phthalates, monomethyl phthalate is formed through hydrolysis by esterases. It is rapidly excreted in urine, making it a useful biomarker for recent phthalate exposure. The compound's presence in urine reflects the extent of phthalate exposure and is used in biomonitoring studies. Its half-life in the body is relatively short, consistent with its role as a metabolite of a rapidly cleared parent compound.
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| Toxicity/Toxicokinetics |
Toxicological information for Monomethyl phthalate is primarily related to its role as a phthalate metabolite. Phthalates are known endocrine disruptors, and their metabolites, including monomethyl phthalate, are used as biomarkers of exposure. The compound itself is not highly toxic, but it indicates exposure to potentially harmful phthalates. Phthalate exposure has been associated with various health effects, including reproductive and developmental toxicity. Monomethyl phthalate serves as a urinary biomarker for the detection of thyroid cancer and benign nodules following phthalate exposure.
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| References | |
| Additional Infomation |
Monomethyl phthalate is a methyl ester and also a monomethyl phthalate. Monomethyl phthalate is a metabolite or breakdown product of dimethyl phthalate, which is used in insect repellents, plastics, and rocket propellants.
Monomethyl phthalate is a phthalate metabolite used as a urinary biomarker for detecting phthalate exposure. It is a metabolite of dimethyl phthalate, which is used in insect repellent, plastic, and as a rocket propellant. The compound serves as a biomarker for the detection of thyroid cancer and benign nodules following phthalate exposure. It is not a drug and has no therapeutic indications. It is available for research use as an analytical standard and biomarker for environmental exposure assessment. |
| Molecular Formula |
C9H8O4
|
|---|---|
| Molecular Weight |
180.16
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| Exact Mass |
180.042
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| CAS # |
4376-18-5
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| Related CAS # |
Monomethyl phthalate-d4;1276197-40-0
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| PubChem CID |
20392
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
328.9±25.0 °C at 760 mmHg
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| Melting Point |
82 - 84 °C
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| Flash Point |
134.7±16.7 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.556
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| LogP |
1.13
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
13
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| Complexity |
212
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC(=O)C1=CC=CC=C1C(=O)O
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| InChi Key |
FNJSWIPFHMKRAT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)
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| Chemical Name |
2-methoxycarbonylbenzoic acid
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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 (555.06 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.88 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 (13.88 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 (13.88 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 | 5.5506 mL | 27.7531 mL | 55.5062 mL | |
| 5 mM | 1.1101 mL | 5.5506 mL | 11.1012 mL | |
| 10 mM | 0.5551 mL | 2.7753 mL | 5.5506 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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