GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
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 tested applications or protocols are specified for this item in the Product Data.
General starting points for small-molecule testing (research use)
Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM. Vortex and, if necessary, briefly sonicate. Filter (0.22 µm PTFE) if particulates persist.
Dose–response in cells: Prepare a 10-point half-log dilution series; maintain constant vehicle (e.g., 0.1% DMSO). Include cell viability counterscreens to detect nonspecific toxicity.
Biochemical assays: Pre-incubate compound with target where relevant; maintain final DMSO ≤1% v/v. Include detergent (e.g., 0.01–0.05% Tween-20) to minimize aggregation.
Stability check: Re-inject working stocks by LC-MS after assay day to confirm integrity.
These are general, literature-style practices; tailor to your specific assay and consult internal SOPs.
Biological Roles
No item-specific target, pathway, or mechanism information is provided in the Product Data. The following guidance is general and intended to support experimental planning with discovery-stage small molecules.
Role in research: Small molecules like this product are commonly used as chemical probes or screening hits/leads to modulate biomolecular targets in vitro for mechanism elucidation, target validation, or phenotypic profiling.
Assay contexts: Evaluate in biochemical target assays, cellular reporter systems, or high-content imaging platforms to map concentration–response behavior and time-dependence. Include orthogonal counterscreens to detect assay interference (e.g., fluorescence quenching, redox cycling, aggregation).
ADME considerations (general): Assess chemical stability in aqueous buffer, microsomal stability, and permeability (e.g., PAMPA or cell monolayers) as appropriate for your research. Avoid biological claims; this material is for research use only.
Documentation: Record vehicle, lot number, and stock preparation details; verify identity/purity intermittently by LC-MS to ensure data integrity over the course of studies.
Buffer Applications
This product is not a buffering agent and is not used to establish pH. However, buffers are commonly required when dosing small molecules in biological assays.
Practical guidance (general)
Common assay buffers: PBS (pH 7.2–7.4), HEPES (25 mM, pH 7.2–7.6), or Tris (pH 7.4–8.0), supplemented with 0.01–0.1% Tween-20 for biochemical assays if needed.
Vehicle control: Match DMSO or ethanol concentration across all wells and controls; typical final DMSO is 0.1–0.5% v/v.
Solubility aids: 0.1–1% BSA can reduce nonspecific adsorption for hydrophobic compounds; avoid exceeding assay tolerance.
Filtration: Filter buffers through 0.22 µm to remove particulates that can seed precipitation.
Item-specific buffer compatibility is not specified for this product; consult your assay’s requirements and perform small-scale compatibility checks.
Green Alternatives
In the absence of item-specific solubility data, consider greener choices for routine handling where feasible, balancing solvency, stability, and assay compatibility.
Comparison of common media (general)
DMSO: benchmark solvent for screening; excellent chemical stability and solvency. Tradeoff: not green; high boiling point complicates removal; can affect some biological readouts.
Ethanol (EtOH): renewable and relatively green; miscible with water; suitable for many moderately lipophilic compounds. Tradeoff: lower solvency for highly hydrophobic molecules.
PEG-400 or PEG/EtOH/H2O blends: greener co-solvent systems enabling higher aqueous loading with reduced DMSO. Tradeoff: viscosity and potential assay interference.
Acetonitrile (ACN): volatile and easy to remove; suitable for LC-MS. Tradeoff: toxicity and petrochemical origin.
Practical tips
Start with the minimum DMSO necessary to achieve a clear stock; explore EtOH or EtOH/PEG cosolvents for assays tolerant to these vehicles.
For preparative isolation or cleanup, consider supercritical CO2 (where applicable) or EtOAc/MeOH systems rather than chlorinated solvents.
Document final vehicle composition within each assay to ensure reproducibility and facilitate greener substitutions in future runs.
Pharmaceutical Uses
No pharmacopeial status or excipient role is specified for this item. This material is provided strictly for research use only (non-GMP) and is not intended for human or veterinary use, diagnostic procedures, or clinical applications.
General formulation notes for research contexts
Screening stocks: Typically prepared in anhydrous DMSO at 10–50 mM, then diluted into assay media.
Solubility screening: Miniaturized cosolvent or pH-shift screens can identify workable conditions for in vitro dosing; document vehicle composition in reports.
Stability: Evaluate bench-top, refrigerated, and frozen stability of both neat material (if solid) and stock solutions by LC-MS.
Any claims of therapeutic utility, dosage, or clinical application are outside the scope of this research product and are not provided.
Physical Properties
Only authoritative, citable values are listed. When item-specific data are unavailable, consult the CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Melting point: Not specified for this item; refer to CoA/Spec Sheet.
Boiling point: Not specified for this item; refer to CoA/Spec Sheet.
Density: Not specified for this item; refer to CoA/Spec Sheet.
Refractive index: Not applicable to solids; Not specified for this item; refer to CoA/Spec Sheet.
Solubility: Not specified for this item; refer to CoA/Spec Sheet. Practical note (general): discovery-stage small molecules are commonly dissolved in anhydrous DMSO to prepare concentrated stocks, then diluted into assay buffers.
LogP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.
Handling notes (general, literature/practice)
If supplied as a solid, allow to equilibrate to room temperature in a desiccator before opening to minimize hygroscopic uptake and condensation.
Prepare small aliquots of stock solutions to minimize freeze–thaw events (see Storage & Reconstitution).
Quality & Grades
Grade/Purity: Moligand™ (as provided). Purity specification: Not specified for this item; refer to CoA/Spec Sheet.
About Moligand™ (general description)
Moligand™ denotes a discovery and screening-oriented grade suitable for medicinal chemistry, screening decks, and target engagement studies. These materials are typically provided with structural identity confirmation (e.g., NMR/MS) and chromatographic purity by HPLC/UPLC; exact methods and acceptance criteria are batch-specific and reported on the CoA.
What to look for on the CoA/Spec Sheet
Analytical identity: 1H NMR, LC-MS/HRMS, and retention time.
Purity: HPLC/UPLC area% at specified wavelength(s); any observed secondary peaks.
Residual solvents and water (KF), elemental analysis, and salt/solvate form when applicable.
Any stabilizers or form-specific notes (none specified for this item).
Fit for purpose
Moligand™ materials are intended for research use only (per Product Data). They are not manufactured under GMP and are not for human or veterinary use, diagnostic procedures, or clinical applications.
Reaction & Applications
This product is cataloged as a small-molecule research compound for discovery uses rather than as a synthetic reagent. No manufacturer application notes are provided for chemical transformations.
Research applications (general for screening compounds)
Biochemical/biophysical assays: Use as a test article in enzyme, receptor, or cell-based assays to probe activity, potency, and selectivity. Maintain consistent vehicle controls (e.g., 0.1–0.5% DMSO) and include serial dilution series (e.g., 10-point half-log) for curve fitting.
Orthogonal analytics: Validate identity and stability during campaigns by LC-MS and 1H NMR of working stocks; monitor for degradation upon repeated thawing or prolonged ambient exposure.
SAR enablement: If analogs are available, construct matched molecular pairs to interrogate physicochemical vs activity trends.
Not typically applicable
Named organic reactions, catalysts, and stoichiometric uses are not typically relevant for this item, as it is not positioned as a building block or reagent. See Synthetic Utility and Reaction Conditions for brief guidance.
Reaction Conditions
Not typically applicable. ARRY-502 is listed as a research small molecule, not as a reagent for preparative organic synthesis.
General notes (if conducting any exploratory chemistry)
Solvents and bases/acids should be selected only after the structure is known; absent that, no temperature, catalyst, or yield expectations can be responsibly provided.
Analytical monitoring: Use LC-MS or UPLC to track any stability or transformation under proposed conditions before scale-up.
For reaction design involving this scaffold, consult the literature associated with its exact structure (not provided here) and tailor conditions accordingly.
Safety & Handling
Always review the product SDS for authoritative hazard, exposure, and first-aid guidance.
GHS Classification: Not specified for this item; refer to SDS.
Signal Word: Not specified for this item; refer to SDS.
Hazard (H) statements: Not specified for this item; refer to SDS.
Pictograms: Not specified for this item; refer to SDS.
General laboratory safety (good practice)
PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Handle powders in a fume hood to avoid inhalation of dust/aerosols.
Incompatibilities: Absent structural details, avoid contact with strong oxidizers/reductants, strong acids/bases, and sources of ignition. Do not mix with unknown reagents.
Spill/Exposure: For small spills, avoid generating dust, collect with inert absorbent, and dispose per institutional guidelines. In case of skin/eye contact, rinse with water for ≥15 minutes and seek medical attention per SDS instructions.
Waste: Treat as organic laboratory waste; segregate halogenated vs non-halogenated streams as applicable per local regulations.
Storage conditions (from Product Data)
Store at room temperature. Protect from moisture and light until more detailed stability guidance is confirmed in the CoA/SDS.
Solvent Selection
Item-specific solubility data are not provided; select solvents according to general best practices for discovery-grade small molecules.
Practical recommendations (general)
Primary stock solvent: anhydrous DMSO is the default for most screening compounds due to broad solvating power and biocompatibility at low final assay percentages (typically 0.1–1% v/v).
Alternative solvents: DMF or acetonitrile for analytical sample prep; ethanol (absolute) for biophysical assays when compatible; avoid protic aqueous media for initial dissolution unless known to be water-soluble.
Aqueous work: After preparing a DMSO stock, dilute into assay buffer with vigorous mixing (pipette tip mixing or brief vortex) to minimize precipitation; final DMSO typically ≤0.5% v/v.
Selection considerations
Polarity: Without a structure, assume moderate-to-high lipophilicity is possible; start with DMSO, then evaluate EtOH or PEG-400 blends if needed.
Analytical compatibility: For LC-MS, acetonitrile/water with 0.1% formic acid or ammonium acetate buffers are standard; confirm ionization behavior empirically.
Small comparison (general)
DMSO: maximal solvency; excellent for long-term freezer stocks; may affect some targets at >1%.
Ethanol: greener, volatile; lower solvency for very lipophilic compounds; good for rapid drying.
DMF/ACN: strong solvents for analytical prep; consider toxicity and volatility profiles.
Shipped In: Not specified for this item; refer to CoA/Spec Sheet.
Appearance/Form: Not specified for this item; refer to CoA/Spec Sheet.
General guidance for small-molecule research compounds
Dry material: Store tightly sealed under inert atmosphere or with desiccant, protected from light. Record date opened.
Stock solutions: Prepare in anhydrous DMSO. Common practice is 10–50 mM; filter if needed through 0.22 µm PTFE. Aliquot to single-use vials to avoid repeated freeze–thaw.
Solution storage: Short term (days): 2–8°C; longer term (weeks to months): −20 to −80°C, protected from light and moisture. Avoid frost-free freezers that cycle temperatures.
Thawing: Bring to room temperature before opening to prevent moisture ingress. Mix thoroughly after thaw; inspect for precipitation or discoloration.
Item-specific stability, hygroscopicity, and reconstitution instructions are not specified for this product; consult the CoA/SDS for definitive guidance.
Structure & Identity
Concise identity information for rapid reference.
SKU: A607741
Product Name: ARRY-502
CAS: 1202891-16-4
PubChem CID: 131633366
InChIKey (as provided): 297623 (note: this appears truncated relative to the standard 27-character InChIKey format)
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
Functional groups, ring systems, stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.
2D structure (descriptive)
A 2D structural description cannot be provided without the connectivity/SMILES. Please consult the product CoA/Spec Sheet for definitive structural depiction and identifiers.
Synthetic Utility
This compound is offered as a research-grade small molecule rather than as a synthetic building block or reagent.
Reagent role: Not typically used as a coupling partner, catalyst, or protecting group reagent.
Transformations: Without structural information, no reliable guidance can be given for derivatization or late-stage functionalization.
Analytical characterization: If synthetic modification is attempted for SAR exploration, employ LC-MS, 1H/13C NMR, and, when applicable, chiral HPLC to confirm identity and enantiopurity.
For synthetic projects, consider procuring the corresponding building blocks or core scaffolds with defined functional handles; none are specified here for ARRY-502.
Target Specificity
Item-specific biological target, binding site/epitope, and selectivity data are not provided for this product.
Target, isoform, species reactivity: Not specified for this item; refer to CoA/Spec Sheet or primary literature for ARRY-502.
Potency/selectivity metrics (e.g., Ki, IC50): Not specified for this item; refer to CoA/Spec Sheet.
This product is supplied for research use only. If target specificity is critical to your application, we recommend independent verification using orthogonal assays (biochemical and cellular) and inclusion of appropriate positive/negative controls.
Need help choosing the grade?
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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