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 n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
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
473.600 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
473.243 Da
Monoisotopic Mass
473.243 Da
Topological Polar Surface Area
98.500 Ų
Heavy Atom Count
35
Formal Charge
0
Complexity
780.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Calcolatori di soluzioni
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Recensioni
Recensioni dei clienti
Application Protocols
Per catalog rules, only product-provided protocols and tested applications may be listed. None are specified for this item.
Item-specific
Tested applications: Not specified for this item; refer to CoA/Spec Sheet.
Recommended working concentrations/dilutions: Not specified for this item; refer to CoA/Spec Sheet.
General guidance for probe handling (non-binding suggestions; verify in-house)
Prepare a sterile 10 mM DMSO stock, aliquot, and store to minimize freeze–thaw cycles.
For biochemical assays, begin with a broad concentration range (e.g., 0.01–30 µM final) to define potency and dynamic range; include vehicle controls and, if available, orthogonal probe controls.
For cell-based assays, confirm solvent tolerance (commonly ≤0.1–0.5% DMSO v/v) and monitor viability to exclude nonspecific toxicity.
Always adapt protocols to your assay platform and confirm with pilot experiments.
GSK484 is widely cited as a selective chemical probe used to study peptidylarginine deiminase biology, particularly enzyme-mediated citrullination of protein substrates in chromatin and innate immune contexts. By modulating the activity of its intended enzyme target in vitro and in cells, the probe helps elucidate how post‑translational arginine-to-citrulline conversion affects histone code interpretation, chromatin accessibility, transcriptional programs, and innate immune effector functions.
In neutrophil biology, enzyme-dependent protein citrullination contributes to chromatin decondensation pathways associated with extracellular chromatin release. Chemical probes like GSK484 enable dissection of upstream signaling and enzymatic checkpoints in these processes under controlled, non-clinical laboratory conditions.
Experimental considerations
Use appropriate time- and dose‑response designs and include vehicle controls to separate on‑target from off‑target or cytotoxic effects.
Complement chemical perturbation with genetic tools (e.g., RNAi/CRISPR knockdown/knockout) and orthogonal biochemical readouts (e.g., citrullinated substrate immunoblots, mass spectrometry of modification sites) to validate biological conclusions.
Consider species- and isoform-dependent differences in enzyme expression and substrate preference when translating findings between cellular models.
Scope and limitations
Chemical probes report on pathways in specific experimental contexts; observed phenotypes are system-dependent and should not be generalized beyond the validated model. No medical, diagnostic, or therapeutic use is implied or permitted for this product.
Buffer Applications
This product is not a buffering agent and is not used to prepare defined pH buffer systems. For assay work, it is typically dosed into pre‑made biological buffers (e.g., PBS, HEPES, Tris) with a small percentage of co‑solvent such as DMSO to aid solubilization. Select the buffer based on your biological assay requirements (ionic strength, pH stability, metal content), not on properties of this probe.
Green Alternatives
This product is a discrete bioactive probe, not a process solvent or commodity reagent; the concept of a “green alternative” is generally not applicable.
Context
Selection of greener options is most relevant when choosing bulk solvents, reagents, or auxiliaries with significant environmental, safety, or regulatory footprints. For a low-mass screening compound used at micro- to milligram scales, environmental impact is dominated by solvent choice and lab practices rather than the probe itself.
Practical, greener practices (general)
Favor aqueous assay buffers with minimal DMSO carryover consistent with compound solubility and assay performance.
Minimize single-use plastics by employing glassware where compatible and validated.
Use microscale workflows and high‑throughput formats to reduce chemical consumption and waste.
Implement solvent recycling (where permitted) and proper segregation of halogenated vs non‑halogenated waste.
If a functional alternative probe is needed
Probe selection should be guided by target selectivity, orthogonality, and data quality rather than “green” criteria alone. Consider complementary chemotypes or negative controls documented in the literature to strengthen biological inference.
Pharmaceutical Uses
Scope
Supplied strictly for research use only. It is not an API, excipient, or GMP material and is not intended for human or veterinary use.
Typical roles in pharmaceutical R&D (general)
Reference/benchmark compound in target validation studies and SAR exploration.
Positive control in biochemical assays, biophysical target engagement measurements, or phenotypic screens.
Tool for deconvolution of pathway dependencies during hit triage and mechanism-of-action studies.
Regulatory note
Not formulated to pharmacopeial specifications and not supported with DMF/ASMF documentation. For any work beyond basic research, alternative sourcing and appropriate quality systems are required.
Physical Properties
Item-specific data
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
Melting point, boiling point, density, refractive index, optical rotation: Not specified for this item; refer to CoA/Spec Sheet.
Aqueous/organic solubility: Not specified for this item; refer to CoA/Spec Sheet.
LogP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.
Small-molecule probe compounds like GSK-series inhibitors are often formulated as solid powders or provided as DMSO solutions for screening collections. Solubility is commonly highest in polar aprotic solvents (e.g., DMSO, DMF) and various alcohols; water solubility can be limited without co‑solvent or salt formation. Always determine actual solubility and stability for the specific lot in your intended solvent system before scale-up.
Hygroscopicity, polymorphism, and crystallinity can influence measured mp/solubility; if your application is solubility- or crystallography‑sensitive, request a recent CoA and, if needed, perform Karl Fischer or XRPD in-house.
Practical notes
Prepare small test dissolutions (e.g., 1–10 mg/mL) across several candidate solvents at room temperature and with mild warming/sonication to establish a robust working concentration.
Record pH for aqueous/co‑solvent systems; many probes exhibit pH‑dependent ionization that impacts solubility and stability. Avoid strong acid/base unless justified by stability data.
Quality and Grades
Item-specific
Grade/Purity: Moligand™ (as provided for this catalog entry).
What Moligand™ typically signifies (general information; not a substitute for the item’s CoA)
Moligand™ is used by Aladdin for research screening compounds and tool molecules suitable for target discovery, assay development, and phenotypic screens. Lots are typically qualified for identity by modern spectroscopic/analytical methods (e.g., LC–MS, NMR) and meet internal purity thresholds intended for screening. Exact test methods and pass criteria can vary; consult the lot‑specific CoA.
UV cutoff, residual solvent profile, water content, heavy metals, and stabilizers: Not specified for this item; refer to CoA/Spec Sheet.
Practical guidance on using Moligand™-grade materials
Intended for in vitro research use only; not for human or animal use in vivo, diagnostic, or clinical applications.
For biochemical and cell‑based assays, prepare fresh DMSO stocks, filter-sterilize only if compatible, and track freeze–thaw cycles to maintain data reproducibility.
If you require additional controls (e.g., enantiopurity, salt form confirmation, polymorph), request enhanced documentation or consider in‑house verification (chiral HPLC, HRMS, XRPD).
Comparison with other common grades (general)
"Screening grade": optimized for identity/purity adequate for primary/secondary screening.
"Analytical/Reference standard grade": often supplied with certified purity and detailed uncertainty budgets.
"Pharmacopeial/API grade": manufactured under GMP with strict impurity and documentation controls; not applicable here.
Reaction and Applications
Item focus
GSK484 is offered as a bioactive tool compound within a screening library context. It is not primarily intended as a synthetic reagent or building block.
Research applications (general, literature-based; not item-specific performance claims)
Commonly employed as a chemical probe in biochemical assays to interrogate enzyme function and chromatin-associated processes. It is typically used in cell‑free enzyme kinetics, target engagement, and to support mechanistic studies in chemical biology.
In cellular experiments, dosing paradigms often use low micromolar nominal concentrations with careful control of solvent carryover and exposure time. Optimal conditions are target- and cell‑line dependent and must be empirically determined.
Practical tips for probe use
Validate identity and purity (LC–MS/HPLC) of working stocks periodically when conducting long campaigns to exclude degradation artifacts.
Run orthogonal controls: vehicle-only, inactive analogs (if available), and rescue/add‑back conditions to strengthen mechanistic conclusions.
Consider thermal shift or CETSA-type assays for target engagement confirmation, along with dose–response curves to establish potency ranges in your system.
Not generally applicable
Named organic reactions, catalysis, or stoichiometric reagent roles are not typical for this compound. For synthetic chemistry workflows, consult building-block or reagent categories instead.
Reaction Conditions
Not typically applicable. This product is a bioactive probe used as supplied rather than a reagent in synthetic reactions. If your experimental design involves coupling or formulation steps (e.g., preparing assay stocks, complexing with carriers), establish conditions empirically:
Dissolution: Screen DMSO, ethanol, or buffer/co‑solvent mixtures; confirm clarity and stability over the intended time course.
Temperature: Prepare and store stocks at ambient or refrigerated conditions per stability data; avoid elevated temperatures unless solubility testing justifies brief warming.
Light/oxidation: Protect from strong light and oxidative environments if the chemotype is known to be photosensitive or oxidatively labile; verify via stability-indicating LC.
For chemical synthesis conditions (solvents, catalysts, yields), consult primary literature specific to this scaffold; such data are not provided for this item.
Safety and Handling
Item-specific hazard information
GHS classification, signal word, hazard statements, and pictograms: Not specified for this item; refer to the SDS provided for your lot.
General laboratory safety for small-molecule probes (not item-specific)
Handle in a fume hood with standard PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Avoid inhalation of dust/aerosols and contact with skin/eyes.
Prevent ingestion; do not pipette by mouth. Wash thoroughly after handling. Decontaminate surfaces and equipment after use.
Avoid incompatible materials until confirmed via SDS; as general practice, segregate from strong oxidizers and strong acids/bases unless compatibility is established.
For weighing fine powders, use antistatic measures and a draft-shield balance to minimize airborne particulate.
First-aid overview (consult SDS for authoritative instructions)
Skin/eye contact: Rinse with copious water for at least 15 minutes; remove contaminated clothing. Seek medical attention if irritation persists.
Inhalation: Move to fresh air; obtain medical attention if symptoms occur.
Ingestion: Rinse mouth; seek medical advice. Do not induce vomiting unless directed by medical personnel.
Spill/fire response (general)
Small spills: Cover with inert absorbent (e.g., vermiculite), collect in a suitable container for disposal. Avoid raising dust.
Fire: Use CO2, dry chemical, or foam extinguishers. Combustion can produce irritating/toxic fumes; firefighters should wear SCBA.
Always defer to the current SDS and your institution’s EHS policies for definitive safety measures.
Solvent Selection
This compound is supplied as a research tool molecule; solvent choice primarily concerns preparation of concentrated stocks for biochemical or cell‑based assays.
Polarity/miscibility considerations (general for small-molecule probes)
DMSO is the default solvent for high‑concentration stocks (e.g., 10–50 mM) due to broad solvency and biological compatibility at low final percentages (≤0.1–0.5% v/v in assays).
Alternative polar aprotic solvents: DMF or NMP can dissolve challenging molecules but are less favored for biological systems; use only with appropriate dilution and controls.
Protic solvents: Ethanol or methanol may be suitable for modest stock concentrations; confirm assay tolerance.
Aqueous buffers: Often require co‑solvent or cyclodextrin complexation; determine solubility empirically.
Practical workflow
Establish solubility by preparing a small DMSO stock (e.g., 10 mM), inspecting for clarity and stability over 24–48 h at room temperature and 4–8 °C.
If precipitation occurs upon dilution into aqueous media, increase mixing time, add nonionic surfactant (e.g., 0.01–0.05% Tween-20) if assay-compatible, or raise DMSO carryover within assay tolerance.
Filter sterilization (0.22 µm PTFE) may be used for sterile stocks if the compound is not adsorptive to the membrane; verify recovery.
Comparison snapshot (general)
DMSO: Maximum solvency, biologically tolerated at low %; hygroscopic, can oxidize/degrade some chemotypes.
Ethanol: Lower solvency, widely tolerated; volatility can shift assay concentrations.
Aqueous buffer: Best for direct dosing but may require salt formation or solubilizers.
Storage and Reconstitution
Item-specific
Storage conditions: Room temperature (as provided). Avoid excessive heat and humidity. For long-term stability, many users store probe stocks refrigerated or frozen; follow lot-specific guidance if provided.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
Appearance/form: Not specified for this item; refer to CoA/Spec Sheet.
Reconstitution (general guidance; verify for your lot)
Solvent: DMSO is commonly used to prepare concentrated stocks (e.g., 10–50 mM). If aqueous use is required, dilute the DMSO stock into buffer while mixing to prevent precipitation; consider co‑solvents or solubilizers as assay‑compatible.
Filtration: If sterility is required, filter through 0.22 µm PTFE or PVDF; confirm recovery and absence of adsorption.
Aliquoting: Prepare single‑use aliquots to avoid repeated freeze–thaw. Label with concentration, solvent, and date.
Stability and handling
Protect from moisture and strong light. Track storage duration and conditions; periodically check integrity by LC–MS or HPLC if data quality is critical.
Disposal: Collect waste and contaminated materials in accordance with local regulations and your institution’s EHS procedures.
For authoritative stability and storage limits, consult the lot-specific CoA and SDS.
Structure and Identity
Brief overview: This listing is for GSK484, a bioactive small-molecule tool compound supplied under Aladdin’s Moligand™ category for research screening libraries.
GSK484 is widely cited in the literature as a selective chemical probe used in enzyme and chromatin biology studies. Structural details, when needed for computational or analytical work, should be taken from peer‑reviewed sources or authoritative databases that correspond to PubChem CID 86340175.
Structural features (descriptive, general)
Supplied as a discrete, single small molecule (not a mixture), intended for use as a biochemical probe in screening/assay contexts. Detailed 2D/3D structural features (ring systems, stereochemistry, functional groups) are not specified in this item record; consult the CoA/SDS or primary literature for definitive structure assignment relevant to the cited CID.
Synthetic Utility
This compound is supplied as a finished chemical probe, not as a synthetic intermediate. It is not typically employed as a reagent, catalyst, or building block in preparative organic synthesis.
If derivatization is contemplated (general considerations)
Any structural modification for probe optimization or tagging requires knowledge of the exact structure, reactive handles, and SAR context from the primary literature. Such work is beyond the scope of this catalog item and should be undertaken with full characterization (NMR, HRMS, HPLC) of any new derivatives.
For conjugation or immobilization, assess functional group compatibility and stability in the intended coupling chemistry; verify retained target engagement after modification with orthogonal assays.
Recommendation
For routine synthetic chemistry needs, refer to Aladdin’s reagents and building blocks portfolios, where materials are specified with functional group content and reactivity suited to named reactions and scalable transformations.
Target Specificity
Only product-data-sourced information may be listed in this section. For this catalog entry, no target, isoform, species selectivity, or binding parameters are provided.
Item-specific
Target/antigen: Not specified for this item; refer to CoA/Spec Sheet.
Species reactivity/selectivity: Not specified for this item; refer to CoA/Spec Sheet.
Affinity/potency metrics (IC50/Ki/Kd): Not specified for this item; refer to CoA/Spec Sheet.
Off-target profile: Not specified for this item; refer to CoA/Spec Sheet.
Consult peer‑reviewed literature associated with PubChem CID 86340175 for contextual information if required for study design; verify all parameters experimentally in your system.
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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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.
