- C
- O
Calculated reference model · not an experimental or batch-certified structure. All 22 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
- C18H16O4
- Method
- RDKit ETKDGv3 / MMFF94s calculated reference conformer
SM04554
Research CompoundsPublished formats
- Liquid Dropper 30ml/2.5mg Per ml/75mg
Supplementary product details from the published catalog, checked 2026-10-07. These reference details do not establish current availability.
Pricing
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Technical Specifications
Batch COA Database ↗Identity fields from the published product record, checked 2026-10-07. Reference information is not a batch identity certificate.
Research Overview
SM04554 (Dalosirvat) Research Standard
SM04554, also known as Dalosirvat, is a synthetic research compound characterized by a distinctive 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione structure. Featuring a diketone functional group and a benzodioxin ring system, this molecule is designed to probe specific cellular signaling pathways. In laboratory research, SM04554 is utilized in cell-based assays and molecular binding experiments to map protein-ligand interactions and evaluate the kinetics of molecular binding in controlled in vitro environments.
Physical & Handling Properties
| Property | Specification |
|---|---|
| Physical Appearance | Light yellow to yellow |
| Concentration | 2.5 mg/mL (Solution) |
Mechanism of Action & Research Context
SM04554 is primarily investigated for its unique structural arrangement, which enables targeted protein-ligand interactions.
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Diketone Framework: The molecule features two ketone groups within a butanedione-like framework. One ketone is attached to a phenyl ring, while the second is integrated with a benzodioxin ring system. This specific configuration is hypothesized to facilitate interaction with protein binding sites.
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Binding Dynamics: The three-dimensional conformation of the benzodioxin and phenyl components provides the basis for binding studies, where researchers examine how the molecule interacts with cellular signaling proteins.
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Pathway Modulation: By influencing these specific binding sites, the compound serves as a tool for studying the modulation of signaling pathways in controlled in vitro environments.
Research Applications
SM04554 is a specialized reagent essential for biochemical and structural research.
Primary fields of in vitro laboratory investigation include:
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Protein-Ligand Interaction Kinetics: Measuring the binding affinity and dissociation rates between SM04554 and target protein receptors.
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Molecular Conformation Analysis: Examining the structure of the compound in solution to understand the orientation of the diketone and benzodioxin moieties.
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Stability & Solubility Profiling: Monitoring the compound's chemical degradation and dissolution profiles across various solvent systems to refine laboratory protocols.
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Cell-Based Signaling Assays: Using the compound to probe the response of cellular systems to exogenous signaling modulation.
Storage & Handling Guidelines
Store at controlled room temperature. 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
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.
Certificates of Analysis
- Batch KC-SM4-01 1 report

Compounds That Survive Scrutiny
Research use only. Not for human or veterinary use.