This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
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Application Protocols
No application protocols are specified for this item in the Product Data.
General handling protocols for small-molecule screening compounds (not item-specific):
Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM. Vortex, sonicate briefly if needed, and filter (0.2 µm PTFE) for particulate removal. Record exact concentration by UV (if chromophore known) or gravimetry.
Aliquoting: Dispense into single-use vials or plates to avoid freeze–thaw cycles. Backfill with inert gas if air-sensitive.
Assay dilution: Titrate into assay buffer keeping final DMSO ≤0.1–1% v/v. Include vehicle controls and, where relevant, detergent controls to mitigate aggregation.
Stability checks: Reassess by LC–MS after 1–4 weeks at storage temperature to confirm integrity.
Note: Replace with item-specific, validated protocols once the structure and intended application are defined.
Biological Roles
No structure-specific biological roles can be assigned from the provided data.
General considerations for small-molecule research compounds (not item-specific):
Potential roles: chemical probes, tool compounds, or SAR starting points in target-based or phenotypic screens. Any inferred biological activity must be verified with orthogonal assays and confirmed identity.
ADME-relevant properties such as lipophilicity (logP/logD), ionization (pKa), and polar surface area govern permeability and nonspecific binding; these require the exact structure for estimation.
Off-target awareness: Reactive motifs (e.g., Michael acceptors, electrophilic warheads) can cause covalent binding and assay interference; confirm absence/presence only after structural verification.
Good practices:
Include vehicle and inactive control compounds; apply PAINS and REOS filters once the structure is known.
Check for redox activity, autofluorescence, or aggregation (e.g., dynamic light scattering, detergent challenge) that may confound assay readouts.
Disclaimer: Biological role annotations require a confirmed molecular structure and validated data; none are claimed here. Use strictly for research purposes as indicated by the Research Use Note.
Buffer Applications
This section is not typically applicable to a generic small-molecule library compound without known acid/base functionality. Buffer systems are generally relevant to biochemical assays where the compound is used as an analyte, not as a buffering agent.
Guidance (general, not item-specific):
When dissolving small molecules for biochemical assays, select buffers that maintain compound stability (e.g., avoid extremes of pH without confirming stability by LC–MS).
Common assay buffers: phosphate (pH 6–8), HEPES (pH 6.8–8.2), Tris (pH 7–9). Assess precipitation upon dilution from DMSO stocks and include a brief equilibration period.
Adjust ionic strength and include inert protein (e.g., BSA) if nonspecific adsorption is suspected; validate that additives do not react with the compound.
Green Alternatives
Because the specific identity and use-case of this compound are not provided, green chemistry considerations are offered at the process level (solvent and workflow), rather than the compound itself.
Greener solvent choices for handling small molecules (general guidance):
Replace DMF/dichloromethane with alternatives where feasible: 2-MeTHF, CPME, EtOAc, MeTHF/water biphasic systems.
For aqueous workups and chromatography, favor EtOAc/MeOH/IPA over chlorinated solvents when performance allows.
For stock solutions, consider ethanol or aqueous co-solvent systems if compatible with the assay and compound solubility.
Comparison (general; not item-specific):
2-MeTHF vs THF: similar polarity; 2-MeTHF from biorenewables, higher bp, improved safety profile; may change reaction rates/selectivity.
CPME vs MTBE/Et2O: wider liquid range, lower peroxide formation tendency, good phase separation.
EtOAc vs DCM: reduced toxicity and environmental impact; slightly higher polarity.
Operational strategies:
Minimize DMSO concentration in assays to ≤0.1–0.5% where possible.
Use microscale reactions and high-throughput experimentation (HTE) to reduce solvent usage.
Implement solvent recycling and in-process analytics (PAT) to limit rework.
Note: When the target compound’s stability/solubility is unknown, validate greener solvent substitutions on small scale before scale-up.
Pharmaceutical Uses
No pharmaceutical/formulation roles are specified for this item. Without a confirmed identity, no compendial status (USP/EP/JP), excipient role, or processing function can be assigned.
General context (not item-specific):
Research compounds may be formulated into dosing vehicles for preclinical studies; however, such use demands full structural confirmation, impurity profiling, and stability data, none of which are provided here.
Typical preclinical vehicles include aqueous buffers with co-solvents/surfactants (e.g., 10% DMSO, 40% PEG400, 5–10% Solutol HS 15), but suitability is structure-dependent and must be justified by stability/tox data.
Compliance reminder:
This product is supplied for research use only. It is not intended for human or veterinary use, clinical diagnostics, or as an active pharmaceutical ingredient.
Physical Properties
Only item-specific values present in the Product Data are reported as such. All other values below are either not provided or must be taken from external literature for the exact structure.
Item-specific data:
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Storage conditions: Room temperature (from Product Data).
Shipping conditions: Not specified for this item; refer to CoA/Spec Sheet.
Typical physicochemical parameters (literature/general guidance for small organic molecules; not item-specific):
Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
Boiling point (BP): Not specified for this item; refer to CoA/Spec Sheet.
Density: Not specified for this item; refer to CoA/Spec Sheet.
LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
pKa(s): Not specified for this item; refer to CoA/Spec Sheet.
Refractive index: Not applicable if solid; if liquid, Not specified for this item; refer to CoA/Spec Sheet.
Solubility guidance (general): Many screening compounds are reconstituted at 10–50 mM in anhydrous DMSO and subsequently diluted into aqueous buffers; actual solubility is structure-dependent and must be verified empirically.
Practical notes:
If crystalline/solid, determine solubility in DMSO, DMF, MeOH, acetonitrile, and aqueous buffer (pH 2–9) by small-scale tests.
For hygroscopic or deliquescent materials, minimize atmospheric exposure and confirm water content by Karl Fischer where relevant.
Quality and Grades
Item-specific grade/purity information is not provided in the Product Data and should be verified on the CoA/Spec Sheet for your lot.
Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
Interpretation (general guidance):
Research-grade library compounds are typically supplied at high purity (often ≥95% by HPLC/LC–MS), but exact thresholds vary. Confirm by reviewing the chromatographic trace, purity basis (UV vs. ELSD/MS), and residual solvent profile on the CoA.
If a stabilizer is present, it will be listed on the label/CoA. Stabilizers can influence bioassays and chromatography; account for them in controls and method development.
Documentation to request/review: CoA, batch analytical report (HPLC/LC–MS), NMR (if available), water/volatile content, and identity confirmation (HRMS/elemental analysis where appropriate).
Practical QA/QC tips:
Recheck purity after prolonged storage or after exposure to air/light using a quick LC–UV/MS assay.
For ionic or hygroscopic materials, monitor water content (Karl Fischer) and consider drying protocols compatible with the compound’s stability.
Define acceptance criteria (e.g., HPLC purity, assay by qNMR) aligned to your application (screening vs. reference standard).
Reaction and Applications
Manufacturer-supplied application notes are not provided for this item. Without a confirmed structure, only general guidance can be offered.
General research uses for catalog small molecules (not item-specific):
As screening ligands in biochemical or phenotypic assays. Prepare DMSO stocks, confirm identity/purity, and test across dose-response ranges with appropriate vehicle controls.
As reference or comparator compounds in method development (e.g., LC–MS retention time markers, extraction recovery standards) if chemically suitable.
As synthetic building blocks or intermediates only if the structure and functional group compatibility are known; otherwise, prioritize identity elucidation before use.
Best practices:
Verify integrity by LC–MS prior to use; check for adducts, salt form, and counterions.
Conduct small-scale stability studies in intended media (buffer, culture media, plasma surrogate) to assess degradation pathways (hydrolysis, oxidation, photolysis).
Record exact lot number and storage history to correlate with performance.
Limitations:
Without structural details, do not assume reactivity, target class, or mechanism of action. Obtain the structural file (SMILES/SDF) and CoA for any mechanistic or medicinal chemistry work.
Reaction Conditions
No specific reaction conditions can be recommended for this item without a confirmed structure and functional group analysis.
General considerations (not item-specific):
Solution preparation: Prepare small test solutions in DMSO, DMF, MeOH, or ACN to assess stability over 24–72 h at room temperature and 4–8°C.
Stability screening: Challenge the compound under acidic (pH 2), neutral (pH 7), and basic (pH 9) conditions and monitor by LC–MS for hydrolysis/oxidation pathways.
If synthetic transformations are intended, begin with mild conditions and scale cautiously, using inert atmosphere and anhydrous solvents when moisture/air sensitivity is suspected.
Documentation:
Record concentration, solvent, temperature, and time rigorously; capture LC–MS/NMR snapshots at start and end to build a stability profile.
Reminder: All temperatures, catalysts, or yields commonly cited in literature are structure-dependent and should not be generalized to this item without verification.
Safety and Handling
Safety information specific to this catalog item is limited in the Product Data. Always consult the SDS for authoritative guidance.
Item-specific hazard data:
Signal word (GHS): Not specified for this item; refer to SDS.
Hazard statements (H-phrases): Not specified for this item; refer to SDS.
GHS classification: Not specified for this item; refer to SDS.
Pictograms: Not specified for this item; refer to SDS.
General laboratory precautions for small organic molecules (non-item-specific):
PPE: Wear lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Work in a fume hood to avoid inhalation of dusts/vapors.
Incompatibilities: Avoid strong oxidizers and strong acids/bases unless compatibility is known. For onium salts or ionic species (if applicable), check for potential reactivity with strong nucleophiles/bases.
First aid overview: Inhalation—move to fresh air. Skin/eye contact—rinse with water for 15 minutes. Ingestion—rinse mouth; seek medical advice. Refer to SDS for specific measures.
Spill response: Contain and collect with inert absorbent; avoid creating dust/aerosols.
Waste: Dispose via licensed chemical waste streams in accordance with local regulations.
Storage from Product Data:
Store at room temperature in a tightly closed container. Protect from moisture and light as appropriate for the compound class; verify with SDS/CoA.
Solvent Selection
No item-specific solubility profile is provided. Selection of solvent should be guided by small-scale solubility testing and your downstream application.
General guidance for small-molecule library compounds (not item-specific):
Primary stock solvent: Anhydrous DMSO is commonly used for 10–50 mM stocks due to broad solvating power and assay compatibility at ≤1% v/v final.
Alternative solvents: DMF, acetonitrile, methanol, ethanol. For water-compatible stocks, co-solvent systems (e.g., DMSO:water, ACN:water) or pH adjustment may help.
Aqueous buffers: Use when the compound bears ionizable groups; determine pKa to select pH that favors solubilized ionic form without degrading the compound.
Dielectric/polarity strategy: Start with high-polarity aprotics (DMSO, DMF), then protic alcohols (MeOH/EtOH), then moderately polar aprotics (ACN, EtOAc). Avoid hydrolysis-prone conditions if functional groups are unknown.
Small comparison (general, not item-specific):
DMSO: maximal solvation, higher viscosity; can interfere with some enzymes at >1%.
DMF: strong solvent; consider toxicity and water content.
ACN: low viscosity; limited for very lipophilic compounds.
MeOH/EtOH: protic; may promote transesterification/acetal exchange in sensitive chemistries.
Tip: Document solvent, concentration, and observed stability/precipitation during assay setup to ensure reproducibility.
Storage and Reconstitution
Storage (item-specific):
Storage conditions: Room temperature (from Product Data). Protect from moisture and light as appropriate; confirm with SDS/CoA for your lot.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
Reconstitution (general guidance; not item-specific):
Recommended initial solvent: Anhydrous DMSO to prepare a 10–50 mM stock, unless item-specific guidance indicates otherwise.
Alternative solvents: DMF, ACN, MeOH, or buffered aqueous solutions depending on ionization and stability; verify empirically.
Filtration: If particulates are observed, pass through a 0.2 µm PTFE syringe filter.
Handling and stability (general):
Aliquot stocks to minimize freeze–thaw; store aliquots in sealed containers under dry atmosphere. If stored at room temperature, assess stability over time by LC–MS or HPLC.
Solid-state considerations: If hygroscopic, store with desiccant. If photosensitive, use amber vials.
Research Use Note:
For research use only. Not for human or veterinary use.
Important: Where exact solubility and stability are critical, rely on item-specific CoA/SDS and perform small-scale verification prior to critical experiments.
Structure and Identity
Brief overview: This is a small-molecule research chemical supplied as part of a small-molecule/compound library category. Item-specific structural identifiers are incomplete in the provided data.
Product name: Stilonium (catalog identifier only; not a guaranteed IUPAC/INN)
CAS: 778527-06-3 (from Product Data)
PubChem CID: 5824382 (from Product Data)
InChIKey: 438178 (provided; appears truncated/non-standard — a full InChIKey is typically 27 characters)
SMILES: Not specified for this item; refer to CoA/Spec Sheet.
Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
Structural features (general guidance):
Functional groups, ring systems, heteroatoms, stereocenters: Not specified for this item; refer to CoA/Spec Sheet.
2D description in words: Not available from the provided data. If the structural file (SMILES/SDF) is supplied, the 2D depiction typically includes atom connectivity, aromatic systems, heterocycles, and any quaternary centers.
Notes:
Identity confirmation for this item should rely on supplier documentation (CoA, Spec Sheet, SDF) and orthogonal analytical methods such as LC–MS, 1H/13C NMR, and HRMS as appropriate.
If you retrieved this entry via the CAS or CID, consult the corresponding public database record for full structure; verify that the registry record matches this catalog entry before use in regulated work.
Synthetic Utility
Synthetic applications cannot be detailed without knowledge of the compound’s functional groups. The following guidance outlines how to approach utility once the structure is confirmed.
Approach (general, not item-specific):
Functional group mapping: Identify nucleophiles/electrophiles, protecting group liabilities, and redox-active sites. Use this to chart diversification vectors for SAR.
Late-stage diversification: If aryl halides/boronates are present, consider palladium-catalyzed cross-couplings (Suzuki–Miyaura, Buchwald–Hartwig). If alkenes/alkynes are present, leverage hydrofunctionalization, cycloadditions, or click chemistry.
Salt/ion form: If the supplied material is an onium salt or contains counterions, account for ion-pair effects in extraction and chromatography; convert to free base/acid if needed for derivatization.
Analytical control:
Track reactions by LC–MS and dose–response bioassays (if relevant) to maintain structure–activity integrity.
Confirm products via NMR, HRMS, and, if stereochemistry is relevant, chiroptical methods or chiral HPLC.
Note: Do not perform transformations without first confirming the exact structure and compatibility of functional groups.
Target Specificity
Target specificity cannot be provided for this product based on the current data. No biological target, pathway, or binding profile is specified.
Guidance (general, not item-specific):
If used as a screening tool compound, determine target specificity via concentration–response assays, selectivity panels, and orthogonal biophysical methods (e.g., DSF, SPR, ITC) once the structure is confirmed.
Apply cheminformatics filters and target prediction tools only after verifying the exact structure to avoid misannotation.
자주 묻는 질문
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 778527-06-3, the molecular formula is C22H30NO?, and the molecular weight is 324.5 g/mol. InChIKey YIMFXBPXUPTIEJ-OUKQBFOZSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.
Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
