Monoethyl phthalate-d4
Based on 1 Customer Validation
Monoethyl phthalate-d4 is the deuterium labeled Monoethyl phthalate. Monoethyl phthalate is an orally active PDX-1 activator and the major hydrolytic metabolite of Diethyl phthalate (HY-Y0284) in vivo, with reproductive toxicity. Monoethyl phthalate targets aromatase (aromatase/CYP19A1) and PPAR to induce cell proliferation. The plasma protein binding rate of Monoethyl phthalate in rats and humans is lower than that of Diethyl phthalate. It exhibits significant enterohepatic circulation in rats and mainly accumulates in liver tissues. Monoethyl phthalate shows no estrogenic activity in estrogen-dependent human breast cancer cells. Monoethyl phthalate can be used in studies of reproductive toxicity and related environmental endocrine disruption mechanisms.
For research use only. We do not sell to patients.
- Purity: 98.27%
- CAS No.: 1219806-03-7
- Formula: C10H6D4O4
- Molecular Weight:198.21
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
1. This compound can be used as a tracer
2. This compound can be used as an internal standard for quantitative analysis by NMR, GC-MS, or LC-MS.
Chemical Information
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CAS No. 1219806-03-7
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Unlabeled Cas 2306-33-4
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Appearance Solid
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Molecular Weight 198.21
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Formula C10H6D4O4
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Color White to off-white
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SMILES
CCOC(C1=C(C([2H])=C([2H])C([2H])=C1[2H])C(O)=O)=O
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
DMSO : 50 mg/mL (252.26 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Purity & Documentation
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Data Sheet (276 KB)
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SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
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Handling Instructions (2659 KB)
References
[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [Content Brief]
[2]. Jeong SH, et al. Risk assessment for humans using physiologically based pharmacokinetic model of diethyl phthalate and its major metabolite, monoethyl phthalate. Arch Toxicol. 2020;94(7):2377-2400. [Content Brief]
[3]. Okubo T, et al. Estimation of estrogenic and anti-estrogenic activities of some phthalate diesters and monoesters by MCF-7 cell proliferation assay in vitro. Biol Pharm Bull. 2003;26(8):1219-1224. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 5.0452 mL | 25.2258 mL | 50.4515 mL | 126.1288 mL |
| 5 mM | 1.0090 mL | 5.0452 mL | 10.0903 mL | 25.2258 mL | |
| 10 mM | 0.5045 mL | 2.5226 mL | 5.0452 mL | 12.6129 mL | |
| 15 mM | 0.3363 mL | 1.6817 mL | 3.3634 mL | 8.4086 mL | |
| 20 mM | 0.2523 mL | 1.2613 mL | 2.5226 mL | 6.3064 mL | |
| 25 mM | 0.2018 mL | 1.0090 mL | 2.0181 mL | 5.0452 mL | |
| 30 mM | 0.1682 mL | 0.8409 mL | 1.6817 mL | 4.2043 mL | |
| 40 mM | 0.1261 mL | 0.6306 mL | 1.2613 mL | 3.1532 mL | |
| 50 mM | 0.1009 mL | 0.5045 mL | 1.0090 mL | 2.5226 mL | |
| 60 mM | 0.0841 mL | 0.4204 mL | 0.8409 mL | 2.1021 mL | |
| 80 mM | 0.0631 mL | 0.3153 mL | 0.6306 mL | 1.5766 mL | |
| 100 mM | 0.0505 mL | 0.2523 mL | 0.5045 mL | 1.2613 mL |
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