| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
Monoethyl phthalate is an orally active PDX-1 activator. It targets aromatase (CYP19A1) and peroxisome proliferator-activated receptors (PPAR) to promote cell proliferation. As a urinary biomarker, it indicates the risk of thyroid cancer and benign nodules.
|
|---|---|
| ln Vitro |
In vitro, monoethyl phthalate acts as a PDX-1 activator and targets aromatase and PPAR to promote cell proliferation. It is used in cell-based assays to study the effects of phthalate metabolites on endocrine function and cell proliferation. The compound's activity is assessed by measuring cell proliferation and gene expression changes.
|
| ln Vivo |
In vivo, monoethyl phthalate is the primary hydrolytic metabolite of diethyl phthalate and is excreted in urine. It serves as a urinary biomarker of phthalate exposure, indicating the risk of thyroid cancer and benign nodules. It has been detected in various biological fluids and is used in reproductive toxicity research.
|
| Enzyme Assay |
In vitro assays for monoethyl phthalate typically involve its use as a reference standard in LC-MS/MS methods for quantifying phthalate metabolites in urine or plasma. The compound is also used in cell-based assays to study its effects on PDX-1 activation, aromatase activity, and PPAR signaling. Cell proliferation is measured by MTT or BrdU incorporation assays.
|
| Cell Assay |
For in vitro cell assays, cells are cultured and treated with monoethyl phthalate at concentrations ranging from 0.1-100 µM. Cell proliferation is assessed by MTT or BrdU incorporation assays. PDX-1 activation is measured by luciferase reporter assays. Aromatase activity is assessed by measuring estrogen production. PPAR signaling is evaluated by qPCR of target genes.
|
| Animal Protocol |
For in vivo animal studies, monoethyl phthalate is typically administered to rodents via oral gavage to study its metabolism and excretion. Urine and blood samples are collected, and the compound is quantified by LC-MS/MS. Toxicological studies assess the effects of phthalate exposure on reproductive and endocrine function. The compound is also measured as a biomarker in exposure studies.
|
| ADME/Pharmacokinetics |
Monoethyl phthalate (MW 194.18) has the molecular formula C10H10O4. It is a white, water-soluble powder. The compound is stable under recommended storage conditions. As the primary metabolite of diethyl phthalate, it is used as a urinary biomarker of phthalate exposure. It is a phthalic acid monoester and a benzoic acid derivative.
|
| Toxicity/Toxicokinetics |
The compound is for research use only. Monoethyl phthalate has implications in reproductive toxicity research. As a metabolite of phthalates, it may have endocrine-disrupting effects at high concentrations. Standard laboratory safety precautions should be followed when handling this compound.
|
| References | |
| Additional Infomation |
Monoethyl phthalate is a phthalic acid monoester formed by the condensation of a carboxyl group of phthalic acid with ethanol. It is a metabolite. It is both an ethyl ester and a monoethyl phthalate. Monoethyl phthalate (mEtP) is a metabolite or degradation product of diethyl phthalate and is used in perfumes, colognes, deodorants, soaps, shampoos, lotions, and other personal care products, especially those containing fragrances.
Monoethyl phthalate (CAS# 2306-33-4) is the primary hydrolytic metabolite of diethyl phthalate and a urinary biomarker of phthalate exposure. It has not been approved as a therapeutic agent. The compound is used in research on phthalate metabolism, reproductive toxicity, and endocrine disruption. It indicates the risk of thyroid cancer and benign nodules and is widely used in environmental and public health research. |
| Molecular Formula |
C10H10O4
|
|---|---|
| Molecular Weight |
194.18
|
| Exact Mass |
194.057
|
| CAS # |
2306-33-4
|
| Related CAS # |
Monoethyl phthalate-d4;1219806-03-7
|
| PubChem CID |
75318
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
339.6±25.0 °C at 760 mmHg
|
| Melting Point |
46-48ºC
|
| Flash Point |
135.3±16.7 °C
|
| Vapour Pressure |
0.0±0.8 mmHg at 25°C
|
| Index of Refraction |
1.547
|
| Source |
Endogenously produced metabolite: Disease markers Other disease
|
| LogP |
1.66
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
14
|
| Complexity |
224
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCOC(=O)C1=CC=CC=C1C(=O)O
|
| InChi Key |
YWWHKOHZGJFMIE-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
|
| Chemical Name |
2-ethoxycarbonylbenzoic acid
|
| 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) |
DMSO: ~100 mg/mL (~515.0 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.87 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (12.87 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (12.87 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.1499 mL | 25.7493 mL | 51.4986 mL | |
| 5 mM | 1.0300 mL | 5.1499 mL | 10.2997 mL | |
| 10 mM | 0.5150 mL | 2.5749 mL | 5.1499 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
