Beta Alanine-2,2,3,3-d4 | CAS 116173-67-2

OVERVIEW
Beta Alanine-2,2,3,3-d₄ is a stable isotopically labelled analogue of β-alanine, in which the hydrogen atoms at the 2- and 3-positions are replaced by deuterium. This results in a +4 Da molecular weight shift, allowing for precise isotopic differentiation in analytical and biochemical studies. Despite deuterium substitution, the compound retains identical chemical and biological properties to native β-alanine, making it an excellent standard and tracer for quantitative analysis and metabolic research.

β-Alanine is a naturally occurring non-essential amino acid, well known as a component of carnosine and as a metabolic intermediate in several biochemical pathways. The deuterated form, Beta Alanine-2,2,3,3-d₄, is particularly useful in studies focused on amino acid metabolism, nitrogen cycling, and enzyme kinetics. It is extensively used as an internal standard in LC-MS and GC-MS analyses, as well as in isotope-dilution studies for quantifying β-alanine in biological samples.

CHEMICAL INFORMATION

• Name: Beta Alanine-2,2,3,3-d₄;

• Molecular Formula: C₃H₃D₄NO₂

• Molecular Weight: 93.12 g/mol

• CAS Number: 116173-67-2

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated amino acid; non-proteinogenic amino acid

• Stability: Chemically and thermally stable under normal laboratory conditions; deuterium atoms remain intact under dry storage

APPLICATIONS  of  Beta Alanine-2,2,3,3-d4 | CAS 116173-67-2

• Mass Spectrometry Internal Standard:
  Beta Alanine-2,2,3,3-d₄ is widely used as an internal standard in LC-MS and GC-MS for quantifying β-alanine in biological matrices such as plasma, cerebrospinal fluid, and muscle extracts. The +4 Da isotopic shift ensures clear differentiation from endogenous β-alanine, allowing highly accurate quantification.

• Metabolic and Biochemical Research:
  Used as a metabolic tracer to investigate β-alanine synthesis, degradation, and incorporation into dipeptides such as carnosine and anserine. Deuterium labelling enables monitoring of amino acid flux in biological systems without altering biochemical function.

• Stable Isotope Labelling Studies:
  Incorporated into biochemical or cellular systems to study nitrogen metabolism, amino acid turnover, and enzymatic pathways. The deuterated analogue provides enhanced analytical precision for isotope-dilution assays.

• NMR Spectroscopy:
  The substitution of hydrogen with deuterium reduces signal interference in proton NMR spectra, improving signal clarity and enabling solvent suppression in complex mixtures.

• Pharmaceutical and Nutritional Analysis:
  Serves as a reference compound in quality control and pharmacokinetic evaluations of β-alanine-containing supplements and therapeutic products.

ADVANTAGES  of  Beta Alanine-2,2,3,3-d4 | CAS 116173-67-2

• High isotopic enrichment (≥ 98 atom % D) ensures precise isotopic distinction.

• Chemically identical to β-alanine, preserving biological relevance and reactivity.

• Ideal for use as an internal standard in isotope-dilution MS and quantitative LC-MS/MS analysis.

• Enhanced signal resolution in NMR due to reduced proton interference.

• Highly stable, easy to store and handle under normal laboratory conditions.

• Supports a wide range of applications from metabolic tracing to pharmaceutical analysis.

HANDLING
Beta Alanine-2,2,3,3-d₄ is a low-toxicity compound and can be safely handled using standard laboratory precautions.

• Avoid inhalation and direct contact with skin or eyes.

• Use personal protective equipment such as gloves, safety goggles, and a lab coat.

• Handle under dry conditions to avoid isotopic exchange with moisture.

• Store tightly sealed in a cool, dry place, away from strong oxidising agents.

• In case of contact, rinse affected area thoroughly with water.

QUALITY & SPECIFICATION
Each batch of Beta Alanine-2,2,3,3-d₄ undergoes strict analytical testing to ensure high chemical purity and isotopic enrichment. Verification typically includes NMR spectroscopy, high-resolution mass spectrometry (HRMS), and infrared spectroscopy (IR).

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Analytical Methods: Verified via ¹H NMR, ²H NMR, IR, and MS analyses

• Residual Solvents: Below ICH regulatory limits
  All batches are accompanied by a Certificate of Analysis (COA) confirming compliance with purity and isotopic standards.

SUMMARY
Beta Alanine-2,2,3,3-d₄ (CAS 116173-67-2) is a high-purity, deuterium-labelled form of β-alanine designed for use in analytical chemistry, metabolic research, and stable isotope studies. Its isotopic substitution offers a distinct analytical advantage in LC-MS, GC-MS, and NMR spectroscopy by providing clear mass and spectral separation. With excellent stability, high isotopic enrichment, and biological equivalence to native β-alanine, this compound is an indispensable reagent for researchers investigating amino acid metabolism, biochemical kinetics, and quantitative bioanalysis.