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 oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
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.
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare
438.600 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
6
Exact Mass
438.23 Da
Monoisotopic Mass
438.23 Da
Topological Polar Surface Area
125.000 Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
657.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
Calcolatori di soluzioni
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Recensioni
Recensioni dei clienti
Application Protocols
No tested application protocols are provided in the Product Data for this item.
General guidance for preparing assay stocks (not item-specific)
Weigh the required amount quickly in a low-humidity environment. Prepare a concentrated DMSO stock (e.g., 10 mM). Vortex and, if necessary, sonicate gently until fully dissolved. Filter sterilize (0.2 µm) if sterility is required for cell-based assays.
Aliquot into single-use vials or plates to avoid repeated freeze–thaw. Store protected from light and moisture.
For biochemical assays, dilute into assay buffer keeping final DMSO constant across all wells/conditions. Include appropriate vehicle and positive-control wells.
Verify final concentration by LC–UV or activity-based titration where feasible.
Biological Roles
General literature context (not product-specific claims; no clinical use)
ONO-5334 is widely described in the research literature as a small-molecule inhibitor used to interrogate the biology of cysteine proteases, particularly cathepsin K, an enzyme implicated in collagen and elastin turnover within lysosomal compartments of osteoclasts and other cells.
Typical research uses include elucidating roles of cathepsin K in extracellular matrix remodeling, bone resorption pathways, and comparative enzymology across cathepsin family members.
Mechanistic considerations for this inhibitor class often involve tight-binding, reversible interactions tuned for activity under mildly acidic conditions (approximate lysosomal pH). Studies frequently assess selectivity using fluorogenic peptide substrates and purified recombinant enzymes.
Boundaries
No therapeutic or clinical claims are made for this catalog item. Use is restricted to research applications. Specific potency, selectivity profiles, and cellular effects should be determined in your laboratory for the intended system.
Buffer Applications
Not typically applicable as a buffering agent.
Practical assay buffer guidance (general; not item-specific)
For enzyme assays involving cysteine proteases, buffers such as sodium acetate or MES (pH 5.0–6.5) are commonly used, often supplemented with reducing agents (e.g., 2–5 mM DTT or TCEP) to maintain catalytic cysteine in the thiolate form. Include 0.01–0.05% nonionic surfactant and 0.1% BSA to reduce adsorption of hydrophobic inhibitors.
Maintain consistent DMSO content across controls and inhibitor wells (e.g., 0.5–1.0% v/v) to control for solvent effects. Validate background fluorescence/absorbance with your chosen substrates.
Green Alternatives
Context
As a designated bioactive research compound, ONO-5334 is not used as a process solvent or reagent where greener substitutions typically apply. Therefore, the green-chemistry discussion is limited to solution preparation and assay workflows.
Greener handling considerations (general)
Prefer minimal DMSO percentages in assay buffers to reduce solvent burden and biological perturbation.
Use microscale formats (96/384-well) and acoustic dispensing to reduce compound consumption and solvent waste.
Consolidate shipping and storage to limit cold-chain energy (room-temperature storage is indicated for this item), and employ reusable secondary containment.
Alternatives
If your experimental goal is target validation rather than chemotype-specific effects, consider orthogonal ligands with differing scaffolds to minimize bias; however, these are scientific alternatives, not greener chemical substitutes.
Pharmaceutical Uses
No clinical or therapeutic use is claimed or supported for this catalog item.
Formulation/CMC-related research context (general; not item-specific)
In preclinical discovery workflows, small-molecule reference inhibitors are occasionally formulated for PK/PD or exposure studies in animals; however, such activities are outside the scope of this product listing and require institution-specific approvals and grade-appropriate material.
For in vitro work, DMSO stock solutions (e.g., 10 mM) are typically prepared and diluted into assay media. If solubility enhancement is needed for exploratory studies, co-solvent systems or cyclodextrin vehicles may be evaluated. Any such approaches must be developed and qualified by the user.
Physical Properties
Item-specific values
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
Physical constants such as melting point, solubility, and logP for ONO-5334 reported in literature/databases may vary; do not use generic values for experimental planning. Always confirm lot-specific data.
Practical handling note: Many bioactive screening compounds are solids of moderate lipophilicity that dissolve well in anhydrous DMSO to prepare 10–50 mM stocks, with subsequent dilution into assay buffers containing protein and nonionic surfactant to minimize adsorption and precipitation. Validate solubility and stability empirically for your assay matrix.
Do not treat any literature value as a product specification. Where exact numbers are required (e.g., UV cutoff, residual solvents, water content, mp), obtain them from the CoA/Spec Sheet for this catalog item.
Quality and Grades
Item-specific grade
Grade/Purity: Moligand™ (as provided).
What Moligand™ typically signifies (general description; not a specification)
Moligand™ denotes a research-grade small-molecule ligand suitable for screening, SAR exploration, and biochemical assays. Materials in this class are typically provided with identity confirmation (e.g., NMR/LC–MS) and a purity appropriate for discovery research. Where applicable, low-level impurities, residual solvents, salt form, and water content should be verified on the accompanying CoA.
Clarifications specific to this item
Exact purity percentage, salt/solvate form, residual solvent limits, metal content, UV cutoff, and inhibitor potency are not specified for this item; refer to the CoA/Spec Sheet.
Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet.
Best practices for quality acceptance
Verify identity (e.g., by LC–MS) upon receipt for critical studies.
For quantitative assays, determine extinction coefficients or rely on weight-based DMSO stocks with back-calculated concentrations by LC–UV or qNMR when feasible.
Reaction and Applications
This product is primarily intended as a bioactive research compound rather than a synthetic reagent.
Research applications (general; not item-specific claims)
Use as a reference ligand/inhibitor in biochemical assays investigating cysteine protease activity (e.g., fluorogenic substrate turnover, jump-dilution reversibility tests, kobs vs. [I] kinetics) and in cell-based target engagement assays (e.g., activity-based probe competition, CETSA/thermal shift).
Utility in screening: Can serve as a positive control in high-throughput or medium-throughput assays profiling cathepsin family selectivity panels, provided the exact target relevance is confirmed for the lot via literature and internal validation.
Mechanistic studies: Supports exploration of reversible vs. slowly reversible inhibition, pH dependence of potency in acidic lysosomal-like buffers, and off-target profiling across related proteases (cathepsins B, L, S, V) as appropriate.
Non-applicability to synthetic chemistry
ONO-5334 is not typically used as a reagent, catalyst, or building block; for synthetic methodology, see the Synthetic Utility tab for general comments and consider dedicated reagents instead.
Reaction Conditions
Not applicable as a synthetic reagent.
Assay preparation conditions (general; not item-specific)
Stock solutions: Commonly 10–50 mM in anhydrous DMSO; verify complete dissolution by visual inspection and, if needed, by analytical HPLC.
Enzyme assays: Incubate with target protease under its optimal pH (often mildly acidic for lysosomal cathepsins) with reducing agent present. Determine IC50 or Ki using appropriate kinetic models (tight-binding corrections may be necessary).
Stability checks: Assess compound stability over assay time (e.g., preincubation at 25–37°C for 30–120 min) and across freeze–thaw cycles.
All numerical conditions must be established empirically for your specific system.
Safety and Handling
GHS/SDS information for this item
Signal word: Not specified for this item; refer to SDS.
Hazard statements (H-phrases): Not specified for this item; refer to SDS.
GHS classification and pictograms: Not specified for this item; refer to SDS.
General laboratory precautions (good practice; not a substitute for SDS)
Use appropriate PPE: lab coat, safety glasses, and suitable gloves (e.g., nitrile). Handle powders to avoid dust generation; use a fume hood for weighing and solution prep.
Avoid inhalation, ingestion, and skin/eye contact. Wash thoroughly after handling. Prevent release to the environment.
Incompatibilities: Until specific data are reviewed, segregate from strong oxidizers and strong acids/bases. Avoid excessive heat and direct sunlight.
First aid overview: In case of skin/eye contact, rinse with plenty of water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air. If swallowed, rinse mouth; seek medical advice. Consult the SDS for definitive measures.
Waste: Dispose according to institutional and local regulations for organic research chemicals.
Authoritative safety data are provided in the SDS for this SKU; review before first use.
Solvent Selection
Applicability
ONO-5334 is supplied as a research small molecule. Solvent selection is primarily relevant for preparing analytical and assay stock solutions rather than as a reaction solvent.
General guidance for bioactive small molecules (literature/practice; not item specifications)
Primary solvent: Anhydrous DMSO is commonly used to prepare 10–50 mM master stocks due to broad solvency and compatibility with biochemical assays.
Secondary options: DMF or ethanol can sometimes be used for intermediate stocks; subsequent dilution into aqueous buffers (e.g., HEPES or PBS with 0.01–0.05% Tween-20 and 0.1% BSA) helps maintain solubility and minimize nonspecific binding.
Aqueous solubility often decreases sharply near neutral pH for hydrophobic scaffolds. Evaluate precipitation upon dilution (“crash-out”) and consider co-solvent ceilings (typically ≤1–2% DMSO v/v in enzymatic assays) to preserve enzyme activity.
Practical tips
Warm and vortex DMSO stocks to ensure full dissolution; if needed, brief sonication can help. Filter 0.2 µm for particle-sensitive readouts.
Track freeze–thaw cycles; consider single-use aliquots to avoid concentration drift and moisture uptake in hygroscopic solvents.
For LC–MS, common mobile phases (water/acetonitrile with 0.1% formic acid) are typically suitable; verify retention and ionization empirically.
Storage and Reconstitution
Item-specific information
Storage conditions: Room temperature (as provided in Product Data).
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
General best practices
Keep container tightly closed, dry, and protected from direct light. Minimize headspace to limit moisture ingress for hygroscopic solvents used in stock preparation.
For long-term stability of working solutions, prepare DMSO master stocks, aliquot into inert vials or plates, and store at −20 to −80°C; avoid repeated freeze–thaw by using single-use aliquots. Record preparation date and concentration.
Before use, allow frozen aliquots to equilibrate to room temperature, briefly vortex, and inspect for precipitates. If precipitation occurs upon aqueous dilution, adjust concentration, co-solvent fraction, or temperature, and verify by analytical methods.
For definitive shelf-life and retest intervals, consult the lot-specific CoA/Spec Sheet.
Structure and Identity
Item-specific facts (from Product Data)
Product name: ONO-5334 (SKU: O612515)
CAS: 868273-90-9
PubChem CID: 11582982
InChIKey: 34278 (as provided)
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.
Literature/context (general, for orientation only; verify against primary references before use)
ONO-5334 is widely cited as a small-molecule, reversible inhibitor used in biochemical research on cysteine proteases, particularly cathepsin K. Detailed structural descriptors (exact SMILES/InChIKey, formula, and MW) vary by source and should be confirmed from an authoritative database or the certificate of analysis for this lot.
Structural features (general description; not item-specific)
Typical reported scaffolds for this class incorporate heteroaromatic motifs and a basic/neutral heterocycle arranged to engage the catalytic cysteine and S2/S3 subsites; many members feature a polar “warhead” (e.g., nitrile) tailored for reversible covalent or tight noncovalent engagement. Because the exact structure for this item is not specified here, consult the CoA/Spec Sheet for definitive functional groups and stereochemistry.
Synthetic Utility
Not a general-purpose synthetic building block.
Context (general)
While ONO-5334 itself is not commonly used as a reagent, chemists may prepare analogs for SAR by modifying heteroaromatic, lipophilic, or polar “warhead” elements characteristic of cysteine-protease inhibitors (e.g., varying heterocycles, adjusting pKa/logP, or substituent patterning to probe S2/S3 pockets). Such efforts typically leverage cross-coupling, nucleophilic aromatic substitution, or amide/urea-forming reactions in route design.
For procurement as a screening standard rather than a synthetic intermediate, this catalog item is intended for direct use in assays rather than modification.
Target Specificity
This section is primarily applicable to biologics/antibodies. No target-specific binding data or selectivity panel is provided in the Product Data for this small-molecule item.
Guidance
If target specificity is critical to your study, determine potency and selectivity experimentally against your panel of interest and consult peer-reviewed literature for orientation. Treat any literature values as study design inputs, not as specifications for this product.
Need help choosing the grade?
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
We use cookies to ensure the website functions properly and, where permitted, to improve your experience. You can manage your preferences at any time in Settings. Learn more in our Cookie Policy.
Shall we send you a message when we have discounts available?
Remind me later
Thank you! Please check your email inbox to confirm.
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.
