Thymine-α,α,α,6-d4 | CAS 156054-85-2

OVERVIEW

Thymine-α,α,α,6-d4 | CAS 156054-85-2 is a deuterium-labeled derivative of thymine, one of the four essential pyrimidine nucleobases in DNA. In this isotopically enriched form, four hydrogen atoms in the parent thymine structure are replaced with deuterium. This subtle yet analytically powerful modification makes Thymine-d4 an indispensable tool in modern analytical chemistry, bioanalytical quantification, metabolic studies, and stable-isotope-based tracer applications.

Because thymine is centrally involved in DNA replication, repair, and nucleotide metabolism, its isotopically labeled analogs enable researchers to probe biochemical pathways without altering the native behavior of the molecule. Thymine-α,α,α,6-d4 is structurally identical to the unlabeled base minus the mass shift contributed by four deuterium atoms. This mass difference is easily detected by high-resolution mass spectrometry (HRMS), making the compound ideal for internal standards, isotopic-ratio measurements, and kinetic studies.

ResolveMass Laboratories Inc. provides high-purity Thymine-d4 as part of our expanding portfolio of isotope-labeled nucleobases, nucleotides, and metabolite standards designed for advanced LC–MS/MS and HRMS applications. Scientists working in molecular biology, genomics, clinical research, and pharmaceutical R&D rely on compounds such as Thymine-α,α,α,6-d4 for reliable quantitation and accurate method development.

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CHEMICAL INFORMATION

• Chemical Name: Thymine-α,α,α,6-d4

• CAS Number: 156054-85-2

• Molecular Formula: C₅H₂D₄N₂O₂

• Isotopic Labeling: 4 deuterium atoms incorporated at specific alpha and methylene positions

• Molecular Class: Pyrimidine nucleobase

The deuterium atoms in Thymine-α,α,α,6-d4 do not significantly alter chemical reactivity, hydrogen bonding properties, or nucleobase pairing characteristics. Instead, they provide an accurate mass shift (typically +4 Da), enabling selective detection across a variety of mass spectrometry platforms, including triple-quadrupole instruments, Orbitrap systems, and Q-TOFs.

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KEY FEATURES

• Isotopic Purity – High levels of deuterium incorporation ensure precise mass spectral resolution and reproducible quantitation.

• Biological Fidelity – Retains the structural and functional characteristics of natural thymine, making it suitable for tracer and mechanistic studies without perturbing biological pathways.

• LC–MS/MS Ready – Designed with mass spectrometry sensitivity requirements in mind, allowing high-confidence quantitation even at low picogram levels.

• Versatile Use Cases – Applicable across nucleic acid metabolism research, drug development, epigenetics, and isotope-dilution assays.

• Reliable Performance – Consistent batch-to-batch quality delivered under stringent QC standards at ResolveMass Laboratories Inc.

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APPLICATIONS  of  Thymine-α,α,α,6-d4 | CAS 156054-85-2

1. Stable Isotope Dilution Mass Spectrometry (SID-MS)

Thymine-α,α,α,6-d4 is widely used as an internal standard for quantifying thymine or thymine-containing analytes in biological matrices. Because its physicochemical behavior closely matches the unlabeled analyte, it corrects for variability in ionization efficiency, sample preparation, and chromatographic separation.

2. Metabolomics and Nucleotide Profiling

In targeted metabolomics workflows, the compound improves the accuracy of measuring pyrimidine metabolism intermediates. Researchers studying DNA degradation, nucleotide turnover, or cellular stress responses use Thymine-d4 as a reference molecule to achieve high-precision quantitation.

3. DNA Turnover and Cell Proliferation Studies

Isotopically labeled nucleobases are essential tools for monitoring DNA synthesis rates. Thymine-α,α,α,6-d4 can be incorporated into cellular DNA during replication, allowing investigators to trace nucleotide utilization using HRMS-based detection.

4. Pharmacokinetic and ADME Investigations

Pharmaceutical scientists leverage Thymine-d4 to study the metabolic fate of nucleoside analog drugs. Its mass difference allows researchers to distinguish endogenous thymine from drug-derived metabolites or degradation products.

5. Method Development and Validation

Analytical laboratories often use Thymine-d4 during the validation of LC–MS assays focused on DNA damage biomarkers, therapeutic nucleoside analogs, and pyrimidine catabolites. The labeled compound enhances calibration accuracy, recovery measurements, and matrix-effect assessments.

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SCIENTIFIC SIGNIFICANCE

The importance of deuterium-labeled nucleobases continues to grow with the advancement of precision bioanalytical technologies. Thymine-α,α,α,6-d4 is especially valuable in:

• Genomics and epigenetics, where accurate measurement of DNA components is essential

• Clinical diagnostics, including studies on metabolic disorders and tissue turnover

• Environmental biology and toxicology, for examining nucleic acid damage under stress conditions

• Biopharmaceutical quality testing, particularly in characterization of nucleic acid-based therapeutics

Because Thymine-d4 provides a clean and distinctive mass spectral signature, it enhances the reliability of scientific conclusions across a wide range of research areas.

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WHY CHOOSE RESOLVEMASS LABORATORIES INC.

ResolveMass Laboratories Inc. is committed to delivering premium-grade isotope-labeled standards for cutting-edge research. Our extensive expertise in analytical sciences ensures high purity, rigorous QC testing, and dependable product performance. Whether you are optimizing a bioanalytical method or developing a new scientific workflow, Thymine-α,α,α,6-d4 from ResolveMass provides confidence, accuracy, and reproducibility.

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