Calculated reference model · not an experimental or batch-certified structure. All 28 atoms shown.
Model data & sources
- Heavy atoms only; hydrogens are omitted from the reference display.
- Source-defined stereochemistry is checked against the calculated coordinates; no energy-minimum, crystal or solution-structure claim is made.
- Reference molecular species only; batch identity, purity, counterions and excipients are not certified.
- Formula
- C21H24N4O2S
- Method
- RDKit ETKDGv3 / MMFF94s calculated reference conformer
YM-178
YM-178 (Mirabegron) Research Standard
YM-178 (Mirabegron) is a synthetic research compound classified as a highly selective beta-3 adrenergic receptor agonist. Characterized by a thiazole ring and an acetanilide group, the molecule exhibits a specific molecular geometry that facilitates high-affinity interaction with beta-3 receptor binding pockets. In controlled laboratory environments, YM-178 serves as a critical chemical probe for investigating beta-3 adrenergic signaling, receptor selectivity profiles, and the competitive dynamics of ligand binding in isolated membrane preparations.
Physical & Handling Properties
| Property | Specification |
|---|---|
| Physical Appearance | White to pale yellow solid |
| Solution Base | PEG400, Propylene Glycol, DMSO, Ethanol, PS80 |
Mechanism of Action & Research Context
YM-178 is studied primarily for its interaction with beta-adrenergic receptor subtypes, with a focus on its high selectivity for the beta-3 receptor.
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Receptor Interaction: The amine functional group within the molecule is essential for establishing hydrogen bonds with receptor residues. This interaction, coupled with the spatial orientation provided by the thiazole ring, allows for optimal fit within the binding pocket.
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Selectivity Profiling: Researchers utilize YM-178 to distinguish beta-3 agonist activity from beta-1 and beta-2 receptor responses, providing a model for characterizing receptor subtype specificity.
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Signaling Dynamics: The compound is employed in cell-free assays to map the binding kinetics and pharmacological profile of beta-3 adrenergic signaling pathways.
Research Applications
YM-178 is a specialized reagent essential for modern receptor-binding and pharmacology research.
Primary fields of in vitro laboratory investigation include:
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Receptor Binding Assays: Quantifying the affinity of YM-178 for beta-3 adrenergic receptors in isolated membrane preparations.
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Selectivity Studies: Comparing binding affinity across different adrenergic receptor subtypes to determine pharmacological specificity.
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Competition Assays: Utilizing the compound to displace labeled tracers, thereby validating receptor site occupancy.
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Stability & Degradation Testing: Evaluating the chemical stability of the thiazole/acetanilide structure under various buffer and temperature conditions.
Storage & Handling Guidelines
Store at controlled room temperature. Keep tightly closed. Liquid formats: do not refrigerate or freeze. Cold storage may cause the solution to cloud or precipitate. If this occurs, return to room temperature and mix until clear.
Storage guidance is a house recommendation. Analytical documentation is per-lot release testing.
Related Research Compounds
Further reading: YM-178 research overview
Research Use Disclaimer
Research Use Only Disclaimer: This product is labeled and sold "For Research Use Only — NOT FOR HUMAN CONSUMPTION." It is not a drug, dietary supplement, food, cosmetic, or medical device, and it is not approved by the FDA or any other regulator for human or veterinary use. It is supplied to approved account holders as a research chemical for laboratory use and must be handled in accordance with applicable law.
