QUALITÀ & PUREZZAMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.≥98%
Moligand™, ≥98% Moligand™ per flussi di lavoro cromatografici e analitici sensibili che richiedono un'interferenza minima della linea di base.
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Stoccaggio e spedizione
Store at -20°C Spedizione Ice chest + Ice pads. Consultare il COA specifico del lotto per le specifiche esatte.
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Documenti di qualità
SDS, COA, scheda tecnica e scheda delle specifiche disponibili per il download. COA specifico del lotto accessibile tramite ricerca per numero di lotto.
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Prova documentale
Citato in 0 pubblicazioni peer-reviewed su cromatografia, sintesi organica e reazioni di accoppiamento incrociato.
Panoramica
GSK1331268 is a selective, orally bioavailable positive modulators of mGluR2.
This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
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:
Calcolatori di soluzioni
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Recensioni
Recensioni dei clienti
Application Protocols
No manufacturer-validated application protocols are provided for this item. The following are general, non–item-specific procedures commonly used for small-molecule research compounds.
Preparation of DMSO stocks
Warm vial to ambient in a desiccator. Briefly centrifuge to collect material. Add anhydrous DMSO to achieve the desired concentration (e.g., 10–50 mM if soluble). Vortex and sonicate gently until fully dissolved. Record exact concentration based on weighed mass.
Aliquoting and use
Dispense single-use aliquots (10–100 µL) into inert, low-bind tubes or plates to minimize freeze–thaw. Store at -20 °C protected from light. Thaw on ice before use.
Assay dilution
Add compound stock to assay buffer with thorough mixing to reach the target final concentration while keeping DMSO ≤0.5–1% v/v. Include vehicle controls matched for DMSO.
QC checks
Verify purity and identity by LC–MS prior to critical experiments. Assess precipitation visually and, if possible, by light scattering after dilution into assay matrix.
Adjust these steps to your institutional SOPs and the compound’s CoA/SDS. No medical or clinical applications are endorsed.
Biological Roles
Item-specific biological function, targets, or pathway roles for GSK1331268 are not provided in this listing. No medical or clinical claims are made; this product is for research use only.
General research context (not item-specific)
Compounds originating from discovery programs are commonly explored as tool molecules to probe signaling cascades, enzyme activities, or receptor–ligand interactions in biochemical and cellular systems.
Typical evaluations include determining potency (IC50/Ki/Kd), selectivity across related targets, cell permeability, metabolic stability (microsomes/hepatocytes), and plasma protein binding. These data, when available, inform suitability as a chemical probe.
Off-target risk is often profiled via panel screening (e.g., kinases, GPCRs, ion channels) to assess specificity. Without item-specific data, users should design confirmatory orthogonal assays and counterscreens to rule out assay interference or promiscuity.
Practical guidance
Begin with biochemical assays to scope activity windows, then translate to cellular systems while titrating DMSO and monitoring cytotoxicity in parallel controls.
Assess compound integrity by LC–MS over the assay period (e.g., 0–24 h) in the exact buffer matrix to ensure that observed effects are not due to degradation products.
Buffer Applications
This product is a small-molecule research compound and is not a buffering reagent. Therefore, conventional buffer preparation guidance (pH range, buffer capacity, recipes) does not apply.
Practical notes for assay buffers (general; not item-specific)
Prepare compound stocks in DMSO and dilute into assay buffers (e.g., HEPES, PBS, Tris) while keeping final DMSO low (≤0.5–1% v/v) to avoid perturbing enzymatic or cellular systems.
If precipitation occurs upon dilution, consider: (a) increasing dilution factor, (b) raising temperature to 30–37 °C, (c) adding permissible amounts of co-solvent (e.g., 0.1–0.5% DMF or MeOH), or (d) adjusting pH if consistent with assay design.
Filter buffers (0.22 µm) and pre-equilibrate to assay temperature for reproducibility. Include vehicle controls matched for DMSO and any co-solvents used.
Green Alternatives
When handling drug-like small molecules for screening or analytics, solvent choice dominates environmental impact. Item-specific green metrics are not provided; below are general, literature-based considerations.
Prefer MeOH or EtOH over chlorinated solvents for sample prep where solubility allows; they are more benign and easier to dispose of.
Use water-based buffers with minimal DMSO (≤1% v/v) for biological assays when compound solubility and stability permit.
For synthetic or purification steps, consider 2-MeTHF or cyclopentyl methyl ether (CPME) in place of THF/Et2O where compatible with the chemistry.
Comparison (general; not item-specific):
DMSO: high solvating power; not volatile; manageable toxicity; persistent in waste streams—use sparingly.
MeOH/EtOH: renewable routes available; rapid biodegradation; flammable—ensure proper ventilation and fire safety.
ACN: effective and volatile; toxicity and waste treatment considerations—minimize volumes.
Chlorinated solvents (DCM/CHCl3): effective but higher environmental and health concerns—reserve for cases where alternatives fail.
Operational tips
Miniaturize assays and use microvolumes to reduce solvent consumption.
Consolidate solvent-compatible workflows (same mobile phases, extraction solvents) to limit solvent switching and rinses.
Employ solvent recovery where permitted by quality systems (not for bioassay stocks).
Pharmaceutical Uses
No excipient role or pharmacopeial status is specified for this item. GSK1331268 is supplied for research use only and is not intended for human or veterinary use.
General formulation/analytical contexts for research compounds (not item-specific)
Can serve as a reference material for developing and validating analytical methods (HPLC/UPLC–UV, LC–MS/MS) including specificity, linearity, accuracy, precision, LOD/LOQ, and stability-indicating behavior.
Useful in pre-formulation research to study solubility, pH–solubility profiles, polymorphism, and compatibility with common excipients (e.g., mannitol, HPMC) in an academic or preclinical lab context.
May be applied in permeability models (PAMPA, Caco-2) and stability assays (chemical, photolytic, oxidative) for fundamental ADME understanding—strictly as laboratory evaluations without clinical intent.
Compliance reminder
Do not incorporate into products intended for human/animal consumption. Handle under institutional quality systems appropriate for research chemicals (documentation, chain-of-custody for analytical reference, and calibrated balances/volumetrics).
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.
Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
Boiling point (BP): Not applicable/rarely reported for complex drug-like solids; Not specified for this item.
Density, refractive index, pKa, logP/logD, UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
Solubility: Not specified for this item; refer to CoA/Spec Sheet.
General characteristics (literature/guidance; not item-specific)
GSK-designated discovery compounds are often mid-to-high MW, aromatic/heteroaromatic, and moderately lipophilic. They typically show: (a) poor aqueous solubility at neutral pH, (b) good solubility in polar aprotic organics (DMSO, DMF, DMAc), and (c) variable solubility in alcohols and chlorinated solvents.
For assay stock preparation, 10–50 mM in anhydrous DMSO is commonly achievable for many drug-like scaffolds (verify empirically for this specific item).
If pH-responsive ionizable groups are present, solubility may improve in mildly acidic (e.g., 0.1–1% TFA or HCl in water/MeOH) or basic media (e.g., 0.1–1% NH4OH). Optimize empirically with small-scale screens.
Always defer to the item’s CoA/Spec Sheet and SDS for authoritative, lot-specific physical data and recommended handling conditions.
Quality and Grades
Item-specific grade
Grade/Purity: Moligand™ (as provided)
What Moligand™ implies (program-level description; not item-specific specs)
Moligand™ denotes inclusion in a curated small-molecule/ligand discovery collection suitable for screening, target engagement studies, and chemical biology. While specific purity and analytical thresholds are not stated here, members of such libraries are generally supplied with identity confirmation (e.g., LC–MS) and a stated purity on the CoA.
UV transparency, residual solvent limits, water content, metal content, or stabilizers: Not specified for this item; refer to CoA/Spec Sheet.
Recommendations for users
Request and review the CoA for the exact lot to confirm: identity (LC–MS/HRMS), purity method and result (HPLC/UPLC with detection wavelength), and any residual solvent or water data if relevant to your application.
If employing in high-sensitivity assays (biophysical binding, SPR, ITC, high-content imaging), consider in-house verification of purity and absence of aggregators (e.g., DLS/turbidity) and reactive impurities (e.g., PAINS filters) before campaign-scale use.
For analytical benchmarking, consider orthogonal purity checks (evaporative light scattering or charged aerosol detection alongside UV) to account for chromophore bias.
Reaction and Applications
Primary use context
GSK1331268 is provided as a research small molecule within a discovery/ligand library. Its principal applications are in chemical biology, screening, and method development rather than as a general synthetic reagent.
Common research applications (general; not item-specific)
High-throughput screening (HTS) and fragment/ligand discovery in biochemical or cell-based assays.
Target engagement assays (e.g., CETSA, NanoBRET) to assess on-target binding in cells or lysates.
Biophysical characterization (SPR, ITC, DSF) to determine binding affinity and thermodynamics, provided solubility and stability are sufficient.
Analytical method development and reference standard for LC–MS/MS quantitation in ADME or stability studies.
Structure–activity relationship (SAR) expansion: the compound can serve as a benchmark or initial chemotype for comparison, though specific substitution vectors are unknown from this listing.
Practical tips
Verify compound integrity before campaigns: LC–MS purity, absence of significant degradation in assay buffer over the experiment timeframe, and lack of pan-assay interference (PAINS) behaviors (general advice).
If using in cells, conduct DMSO tolerance controls and evaluate aggregation via detergent-supplemented counter-screens where appropriate.
Record exact stock concentration and freeze–thaw history to maintain consistency across replicates.
Reaction Conditions
This product is not offered as a reagent for chemical transformations, and no item-specific reaction conditions apply.
General handling for analytical/sample-prep workflows (not item-specific)
Solution prep: Dissolve in anhydrous DMSO at a defined concentration (e.g., 10–50 mM if soluble). Mix by vortexing and brief sonication; avoid prolonged heating.
Dilution: For LC–MS, dilute into ACN/H2O with 0.1% formic acid as needed to match the initial mobile phase. For bioassays, dilute into buffer while maintaining low final DMSO.
Stability checks: Incubate aliquots in intended matrices (buffer, microsomes, media) and monitor by LC–MS at timepoints to capture hydrolysis/oxidation risks.
If employing this compound within a chemical synthesis context, develop conditions de novo based on its actual structure and functional group compatibility; none are specified or recommended here.
Safety and Handling
GHS classification (from Product Data)
Signal Word: Not specified for this item; refer to SDS.
Hazard Statements (H-Statements): Not specified for this item; refer to SDS.
Pictograms: Not specified for this item; refer to SDS.
GHS Classification: Not specified for this item; refer to SDS.
General laboratory safety guidance (not item-specific; defer to SDS)
Handle in a chemical fume hood. Avoid inhalation of dust/aerosols and contact with skin/eyes.
Recommended PPE: lab coat, safety glasses, and suitable chemical-resistant gloves (e.g., nitrile). Change gloves regularly and after contamination.
Avoid incompatible materials until confirmed by SDS; for drug-like organics, typical incompatibilities include strong oxidizers and strong acids/bases that may degrade the molecule.
In case of skin or eye contact: rinse with water for at least 15 minutes and seek medical attention per institutional protocols.
If inhaled: move to fresh air; seek medical evaluation. If ingested: rinse mouth; do not induce vomiting unless directed by medical personnel.
Spill response: absorb with inert material (e.g., vermiculite), collect in a sealed container for hazardous waste disposal. Prevent environmental release.
Fire-fighting: use CO2, dry chemical, or foam; combustion may produce COx/NOx/halogenated species depending on structure.
Always consult the official SDS for definitive hazard classification, first-aid measures, and incompatibilities for this specific item.
Solvent Selection
Polarity and miscibility (general guidance for drug-like small molecules; not item-specific)
Stock solutions: DMSO is typically the first-choice solvent due to strong solvating power and biological assay compatibility at ≤1% v/v final concentration.
Secondary options: DMF/DMAc (for chemistry workflows), MeOH/EtOH (if sufficient solubility), acetonitrile, and chlorinated solvents (DCM/CHCl3) for sample preparation. Water solubility may be limited unless ionizable groups are present.
Practical selection tips
Start with a small solubility screen (DMSO, MeOH, ACN, PBS, water) at room temperature and at 37 °C. Sonication and gentle heating can aid dissolution.
For biological assays, prepare concentrated DMSO stocks (e.g., 10–50 mM if soluble) and serially dilute into assay buffer, keeping the final DMSO ≤0.5–1%.
For LC–MS quantitation, choose injection solvents that match initial LC conditions (e.g., 10–30% aqueous for reversed-phase) to avoid peak distortion.
Comparison (general; not item-specific)
DMSO: highest solvating power; compatible with most assays at low %.
MeOH/EtOH: greener, volatile; may offer sufficient solubility for many scaffolds.
ACN: LC-friendly, mid-polar; good for sample handling.
Aqueous buffers: only if the compound is sufficiently ionizable or formulated with co-solvents/surfactants (Tween-20/Pluronic at very low % as allowed by assay).
Storage and Reconstitution
Item-specific conditions (from Product Data)
Storage Conditions: Store at -20°C
Shipped In: Ice chest + Ice pads
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
General reconstitution guidance (not item-specific; verify empirically)
For solids: Equilibrate the sealed vial to room temperature in a desiccator before opening to avoid moisture condensation. Reconstitute in anhydrous DMSO to a convenient stock (e.g., 10–50 mM if soluble). If aqueous use is required, dilute the DMSO stock into buffer immediately before use.
For solutions (if provided as such): Mix gently after thawing on ice. Avoid vigorous agitation that can introduce bubbles and adsorption losses.
Handling and stability tips
Prepare single-use aliquots to minimize freeze–thaw cycles. Protect from light if the compound contains chromophores susceptible to photolysis (general precaution).
Record preparation date, solvent, and concentration on each aliquot. Monitor for precipitation or discoloration; discard if degradation is suspected.
Long-term stability, water content limits, and additive/stabilizer information: Not specified for this item; refer to CoA/Spec Sheet and SDS.
Always defer to the product’s CoA and SDS for definitive storage guidance and any special precautions for this specific item.
Structure and Identity
Item-specific identifiers (from Product Data)
Product Name: GSK1331268
SKU: G610685
CAS: 1207197-70-3
PubChem CID: 46190878
InChIKey: 153370 (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.
Structural features
Detailed 2D/3D structure, ring systems, stereochemistry, and functional groups are not disclosed in this listing. For structural elucidation (e.g., heteroatom pattern, aromatic scaffolds, stereocenters), consult the product’s CoA, Spec Sheet, or the linked CID in external databases.
Notes for identity confirmation (general guidance)
For small-molecule library members, identity is commonly supported by orthogonal methods such as 1H NMR, LC–MS (ESI+/-), HRMS, and HPLC purity profiling. Verify exact analytical methods and acceptance criteria on the CoA for this specific lot.
If receiving as a solid, confirm appearance and perform a quick LC–MS identity check on intake. If supplied as a DMSO solution, verify concentration by UV or quantitative NMR as appropriate (general guidance; not item-specific).
Synthetic Utility
GSK1331268 is provided as a finished small molecule for screening and probe development; it is not primarily intended as a synthetic reagent or building block.
General considerations (not item-specific)
Without disclosed structure, retrosynthetic value cannot be assessed. If the scaffold becomes a lead for SAR, medicinal chemists would typically explore modification vectors identified from the core (ring substitutions, linker variations, heteroatom swaps) informed by the disclosed structure and property targets.
If functional groups amenable to diversification are present (e.g., aryl halides, amines, acids), late-stage functionalization approaches (C–H activation, Buchwald–Hartwig, Suzuki–Miyaura, amide coupling) could be envisioned; however, such opportunities are unknown from this listing and should not be presumed.
Practical note
Treat this material as a terminal compound for bioassays and analytics. For synthetic campaigns, procure starting materials and intermediates specific to your SAR plan rather than repurposing this item.
Target Specificity
No target, mode of action, or selectivity profile is specified for GSK1331268 in this listing.
Guidance for users (general; not item-specific)
Establish biochemical potency and preliminary selectivity via primary assays and a small off-target panel. Confirm via orthogonal assay formats to mitigate false positives.
Evaluate cell-based activity with matched vehicle controls and counterscreens designed to reveal aggregation, redox cycling, or assay interference.
Consider profiling in broad panels only after confirming solubility, stability, and clean analytical behavior in your assay matrix.
Domande frequenti
How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
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