Estrone-2,4,16,16-d4 | CAS 53866-34-5

OVERVIEW  of  Estrone-2,4,16,16-d4 | CAS 53866-34-5
Estrone-2,4,16,16-d4 is a deuterium-labeled steroidal hormone structurally identical to endogenous estrone (E1) except for the isotopic substitution of deuterium atoms. This isotopic labeling shifts the molecular mass by +4 Da, allowing analysts to distinguish it clearly from native estrone during mass spectrometric analysis.

As one of the principal estrogens in humans, estrone plays a key role in reproductive physiology and endocrine signaling. The deuterated analog, therefore, serves as a critical internal standard for the quantitative measurement of estrone and related estrogens in biological fluids. Manufactured by ResolveMass Laboratories Inc., Estrone-2,4,16,16-d4 meets rigorous analytical-grade specifications for use in clinical laboratories, pharmaceutical research, and hormone metabolism studies.

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SUMMARY
Estrone-2,4,16,16-d4 (CAS 53866-34-5) is a stable isotope-labeled analog of the natural estrogen hormone estrone, in which four hydrogen atoms are replaced by deuterium at the 2, 4, 16, and 16 positions. This deuterated compound is primarily used as an internal standard and tracer in bioanalytical, pharmacokinetic, and clinical studies involving estrogen metabolism. Supplied by ResolveMass Laboratories Inc., this high-purity standard ensures precise quantification, isotopic stability, and reproducibility in LC-MS/MS assays and endocrine research applications.

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CHEMICAL INFORMATION

• Chemical Name: Estrone-2,4,16,16-d4

• Synonyms: E1-d4; 3-Hydroxyestra-1,3,5(10)-trien-17-one-2,4,16,16-d4; Deuterated estrone

• CAS Number: 53866-34-5

• Molecular Formula: C₁₈H₁₈D₄O₂

• Molecular Weight: 274.40 g/mol

• Isotopic Enrichment: ≥ 98 atom % D

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DESCRIPTION AND PROPERTIES
Estrone-2,4,16,16-d4 retains all the biochemical and physicochemical characteristics of natural estrone while offering a distinct isotopic mass signature. The substitution of four hydrogen atoms with deuterium provides excellent stability without affecting the compound’s chromatographic or chemical behavior.

This property makes it a reliable isotope-labeled internal standard in quantitative bioanalytical assays. In LC-MS/MS and GC-MS, Estrone-2,4,16,16-d4 co-elutes with native estrone, providing ideal calibration and compensation for ion suppression, matrix effects, and extraction losses. Its high isotopic purity and structural similarity ensure robust quantification and reproducibility across analytical platforms.

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APPLICATIONS  of  Estrone-2,4,16,16-d4 | CAS 53866-34-5

1. Internal Standard in LC-MS/MS and GC-MS:
   Estrone-2,4,16,16-d4 is a widely used internal standard for quantifying endogenous estrone in biological matrices such as serum, plasma, urine, and tissue extracts. The +4 mass unit shift ensures precise isotope dilution mass spectrometric (IDMS) quantification.

2. Pharmacokinetic and Metabolic Studies:
   This compound serves as a tracer in studies of estrogen metabolism, clearance, and distribution, allowing researchers to measure conversion rates between estrone, estradiol, and estriol in vivo and in vitro.

3. Endocrine and Clinical Research:
   Deuterated estrone is a valuable reference material in clinical assays measuring hormone levels associated with menopause, endocrine disorders, and reproductive health.

4. Quality Control in Hormone Assays:
   Laboratories use Estrone-d4 as a reference control to validate method accuracy, sensitivity, and linearity in hormone quantification workflows.

5. Stable Isotope Labeling Studies:
   In isotopic tracer research, Estrone-2,4,16,16-d4 enables the tracking of estrogenic metabolic pathways, enzyme kinetics, and biotransformation processes.

6. Environmental and Toxicological Studies:
   The compound is also applied in monitoring environmental estrogens and endocrine-disrupting compounds (EDCs), supporting the identification and quantification of trace estrogenic substances in ecological samples.

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ANALYTICAL ADVANTAGES

• High isotopic enrichment (≥98 atom % D) ensures distinct mass spectral separation

• Ideal co-elution and chromatographic matching with native estrone

• Reduces analytical variability due to extraction and matrix effects

• Provides reliable calibration for isotope dilution quantitation

• Suitable for LC-MS/MS, GC-MS, and NMR analyses

• Stable under storage and analytical conditions

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QUALITY AND MANUFACTURING
At ResolveMass Laboratories Inc., Estrone-2,4,16,16-d4 is synthesized using controlled deuterium substitution techniques that preserve molecular configuration and chemical integrity. Each production batch undergoes comprehensive quality evaluation through LC-MS, GC-MS, and NMR spectroscopy to verify isotopic enrichment, structural identity, and chemical purity.

Our products conform to international standards for analytical reference materials, ensuring that researchers receive reproducible and traceable results. This makes Estrone-2,4,16,16-d4 a dependable standard for high-sensitivity quantitative assays in biomedical, pharmaceutical, and clinical laboratories.

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CONCLUSION
Estrone-2,4,16,16-d4 is a premium isotope-labeled estrogen reference standard designed for precision quantification and metabolic tracing of steroid hormones. Its exceptional isotopic purity, structural fidelity, and analytical stability make it the preferred internal standard for LC-MS/MS hormone assays, pharmacokinetic profiling, and clinical research. Backed by the manufacturing expertise of ResolveMass Laboratories Inc., this compound ensures unmatched accuracy and reproducibility in advanced endocrinological and bioanalytical studies.

 

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