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(S)-Atenolol-[d7]

General Information
Catalog: BLP-013988
CAS: 1309283-20-2
Molecular Formula: C14H15D7N2O3
Molecular Weight: 273.38
Chemical Structure
(S)-Atenolol-[d7]
Description (S)-Atenolol-[d7] is the labelled analogue of (S)-Atenolol, which is a selective β-adrenergic blocker and could be used as an antihypertensive agent.
Synonyms (S)-Atenolol-d7 (Iso-propyl-d7); 4-[(2S)-2-Hydroxy-3-[(1-methylethyl-d7)amino]propoxy]benzeneacetamide; (-)-Atenolol-d7; Esatenolol-d7; S-(-)-Atenolol-d7
IUPAC Name 2-[4-[(2S)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-hydroxypropoxy]phenyl]acetamide
Related CAS 93379-54-5 (unlabelled)
Canonical SMILES CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m0/s1/i1D3,2D3,10D
InChI Key METKIMKYRPQLGS-FAPHKGRVSA-N
Melting Point 151-153°C
Purity 95% by HPLC; 98% atom D
Solubility Soluble in DMSO, Methanol
Appearance White Solid
Storage Store at -20°C

(S)-Atenolol-[d7], a deuterated version of the beta-blocker atenolol, finds extensive use in both research and preclinical environments. Here are the key applications of (S)-Atenolol-[d7]:

Pharmacokinetic Studies: Delving into the intricate realm of pharmacokinetics, (S)-Atenolol-[d7] serves as a vital tool for exploring the absorption, distribution, metabolism, and excretion (ADME) of atenolol. Through deuterium labeling, researchers can distinguish this variant from the non-labeled drug within the body, shedding light on the drug’s behavior and aiding in the optimization of dosing regimens.

Bioavailability Assessment: In the realm of bioavailability studies, (S)-Atenolol-[d7] takes center stage, offering insights into the efficiency of atenolol formulations. By scrutinizing the blood plasma levels of deuterated and non-deuterated atenolol, researchers can infer the performance of drug delivery systems, a crucial step in the development of novel formulations with enhanced therapeutic profiles.

Drug Interaction Studies: Unraveling the complexities of drug interactions, (S)-Atenolol-[d7] plays a pivotal role in evaluating potential interactions between atenolol and other compounds. By administering deuterated atenolol alongside other drugs, researchers can gauge how these compounds impact the pharmacokinetics of atenolol, ensuring the safety and efficacy of multi-drug therapeutic regimens.

Metabolic Pathway Analysis: Dive into the depths of metabolic pathways with (S)-Atenolol-[d7], leveraging its deuterium labeling to illuminate the biotransformation of atenolol within the body. By tracking the metabolic journey of atenolol, researchers can pinpoint the specific enzymes involved in its metabolism, offering valuable insights into metabolic profiles and the potential side effects of this drug.

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