Name: Mirabegron-[d5]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-004766

CAS: 1258889-45-0

Molecular Formula: C21H19D5N4O2S

Molecular Weight: 401.54

Chemical Structure

Description	Mirabegron-[d5] is the labelled analogue of Mirabegron. Mirabegron is an orally bioavailable agonist of the human beta-3 adrenergic receptor, and it is a drug for the treatment of overactive bladder.
Synonyms	Mirabegron D5; Myrbetriq-d5; Betanis-d5; 2-Amino-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-4-thiazoleacetamide-d5
IUPAC Name	2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]amino]ethyl]phenyl]acetamide
Related CAS	223673-61-8 (unlabelled)
Canonical SMILES	C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O
InChI	InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1/i1D,2D,3D,4D,5D
InChI Key	PBAPPPCECJKMCM-LFYPSMMVSA-N
Purity	≥98%; ≥98% atom D
Solubility	Slightly soluble in Methanol
Appearance	White Solid
Storage	Store at -20°C

Mirabegron-[d5] is a deuterium-labeled version of mirabegron, primarily used in scientific research and pharmacokinetic studies. Here are some key applications of Mirabegron-[d5]:

Pharmacokinetic Studies: Mirabegron-[d5] is used in clinical and preclinical settings to assess the pharmacokinetics of mirabegron, a beta-3 adrenergic receptor agonist used to treat overactive bladder. By replacing hydrogen with deuterium, researchers can trace the compound's absorption, distribution, metabolism, and excretion. This helps in understanding drug behavior and optimizing dosing regimens.

Bioanalytical Research: In bioanalytical laboratories, Mirabegron-[d5] serves as an internal standard for mass spectrometry assays. It ensures precision and accuracy in quantifying mirabegron levels in biological samples, such as blood or urine. This is essential for therapeutic drug monitoring and for conducting bioequivalence studies in the development of generic formulations.

Metabolic Pathway Elucidation: Researchers utilize Mirabegron-[d5] to study the metabolic pathways and identify potential metabolites of mirabegron in the human body. By following the deuterium-labeled compound, scientists gain insights into enzyme involvement and mechanistic processes. This information is crucial for drug safety assessments and for understanding potential interactions with other medications.

Deuterium Effect Studies: Mirabegron-[d5] provides a model system to investigate the kinetic isotope effects imparted by deuterium substitution. Researchers explore how these effects influence drug stability, reaction rates, and overall pharmacodynamics. Such studies contribute to the development of next-generation deuterated drugs with potentially improved efficacy and safety profiles.