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 pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
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:
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Recensioni
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Application Protocols
There are no vendor-validated protocols, assay types, or recommended dilutions provided for this item. The notes below summarize general practices for small-molecule screening compounds.
Stock solutions: Prepare in dry DMSO at a convenient concentration (e.g., 10–50 mM); verify complete dissolution visually and by analytical means as needed.
Plate handling: Use low-bind polypropylene tubes and assay plates; pre-wet tips with DMSO stocks to improve pipetting accuracy at low µL volumes.
Serial dilution: Perform in DMSO or assay buffer as appropriate; maintain consistent DMSO across wells. Include vehicle controls and positive/negative controls per assay design.
Assay exposure: For cell-based assays, begin with short exposures and multiple concentrations; monitor cytotoxicity independently from target readouts.
Data quality: Incorporate replicates and orthogonal assays; flag anomalous data for solubility or interference checks (turbidity, inner-filter effects, autofluorescence).
Item-specific, tested applications (WB, IHC, IF, FC, etc.) and recommended dilutions: Not specified for this item; consult internal method development and CoA/Spec Sheet.
Biological Roles
No specific biological target, pathway, or mechanism is provided in the Product Data for GSK1331258. Accordingly, no claims about biochemical roles or cellular mechanisms can be made for this catalog entry.
General considerations for small-molecule screening compounds:
Potential roles: Depending on structure, such compounds may act as enzyme inhibitors, receptor ligands, ion channel modulators, or protein–protein interaction disruptors; however, target specificity and mode of action must be established empirically for each laboratory’s application.
Assay selection: Choose assays aligned with the hypothesized mechanism (e.g., enzymatic kinetics, thermal shift, biophysical binding such as SPR/ITC, or cell-based reporter systems) and include orthogonal confirmation.
Selectivity profiling: Counter-screen against related targets and off-target panels to ensure interpretable phenotypes.
Physicochemical liabilities: Aggregation, redox activity, or fluorescence interference can confound results; include controls to detect PAINS-like behaviors. These are general cautions, not item-specific attributes.
Item-specific target, affinity values (Kd/Ki/IC50), and biological data: Not specified for this item; refer to your internal data, primary literature, or the CoA/Spec Sheet if available.
Buffer Applications
This product is a small-molecule screening compound and is not a buffering reagent. Therefore, conventional buffer formulation guidance (pH ranges, recipes) is not applicable.
Practical notes for assay buffers (general):
Vehicle control: When dosing from DMSO stocks, include matched vehicle controls at the same final DMSO percentage.
Surfactants: Add low levels of non-ionic detergents (e.g., 0.01–0.05% Tween-20 or Triton X-100) to reduce colloidal aggregation where appropriate.
Protein binding: Include carrier proteins (e.g., 0.1–0.5% BSA) if nonspecific adsorption is suspected; verify that such additions do not perturb the assay.
Item-specific buffer compatibility and solubility limits are Not specified for this item; consult your assay development data and CoA/Spec Sheet.
Green Alternatives
As a discrete screening compound, the concept of “green alternatives” applies primarily to handling solvents and workflows rather than replacing the compound itself.
Greener handling strategies (general):
Prefer lower-toxicity, higher-biodegradability solvents for cleaning and dilution where scientifically acceptable (e.g., switch from DMF to ethanol or water-containing co-solvent systems when solubility permits).
Minimize DMSO volumes in assays while maintaining solubility; consider aqueous buffer with small amounts of ethanol or acetonitrile as co-solvents if compatible with biology.
Use microscale reaction/assay volumes to reduce solvent waste; adopt 384/1536-well formats for HTS when possible.
DMSO vs 2-MeTHF/CPME: DMSO remains the most practical stock solvent for screening compounds; for synthetic steps or sample workup, 2-MeTHF/CPME can reduce peroxide formation and improve EHS profiles relative to diethyl ether/THF.
Acetonitrile vs ethanol/water: ACN offers superior miscibility and volatility but has higher environmental burden; aqueous ethanol blends can be preferable if solubility and assay tolerance allow.
Implement closed-source dispensing to limit VOC emissions.
Item-specific solvent compatibility or stability data are Not specified for this item; consult CoA/Spec Sheet.
Pharmaceutical Uses
No pharmacopeial status or excipient role is provided for this item. This compound is sold strictly for research use only (not for human or veterinary use, not for diagnostic or therapeutic applications).
How such compounds are used in pharmaceutical R&D (general):
Discovery research: Tool compounds for target validation, hit-to-lead campaigns, and mechanistic studies.
Analytical reference: Calibration standards in bioanalytical method development (e.g., LC–MS/MS) during nonclinical studies.
Formulation prototyping (preclinical research): Exploratory solubility/enabling formulation screens to support in vivo proof-of-concept in animal models where permitted under institutional approvals.
Regulatory note:
This product is not manufactured to GMP and carries no compendial monograph compliance (USP/EP/JP). For any application requiring GMP or clinical-grade materials, a separate sourcing and qualification pathway is required.
Item-specific excipient compatibility, polymorph information, salt form, and stability-in-formulation data: Not specified for this item; refer to CoA/Spec Sheet.
Physical Properties
Item-specific physicochemical parameters are not available in the provided data.
Appearance: 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/unknown for a discrete small-molecule solid; consult CoA if provided.
Density: Not specified for this item; refer to CoA/Spec Sheet.
Refractive index: Not applicable (solid) unless supplied; not specified for this item.
Solubility: Not specified for this item; refer to CoA/Spec Sheet. (General practice: prepare screening stocks in anhydrous DMSO; aqueous solubility varies widely by structure.)
LogP/logD, pKa, polar surface area: Not specified for this item; refer to CoA/Spec Sheet or calculate from structure when available.
General laboratory guidance (literature/good practice):
Many discovery compounds dissolve readily in dry DMSO at 10–50 mM for screening; serial dilution into assay buffers containing co-solvent (e.g., ≤1–2% DMSO) helps mitigate precipitation.
If solubility issues arise, consider co-solvent blends (e.g., DMSO:acetonitrile or DMSO:ethanol) and warm (room temperature to 37 °C) vortex/sonication. Filter through 0.2 µm PTFE/RC if compatible.
For hygroscopic or light-sensitive compounds (not indicated for this item), minimize moisture/UV exposure during handling.
Quality and Grades
Grade/Purity: Moligand™ (from Product Data).
What Moligand™ typically denotes (general description):
A discovery/screening-grade small molecule intended for ligand screening, target validation, and SAR exploration. Emphasis is on identity and suitability for biochemical/cellular assays rather than compliance with pharmacopeial monographs.
Characterization commonly includes LC–MS and HPLC purity profiling; exact tests, purity thresholds, water/peroxide/metal specs, and UV cutoffs are Not specified for this item; refer to CoA/Spec Sheet.
Implications for use:
Suitable for high-throughput screening (HTS), hit confirmation, counterscreens, and mechanism-of-action studies (research use only).
If ultra-low UV background or metal content is critical (e.g., analytical quantitation, metal-catalyzed transformations), verify with the CoA or request additional QC data.
Batch-to-batch considerations:
Maintain traceability by recording lot numbers and CoA revisions.
If biological readouts are sensitive, confirm purity and identity post-receipt (orthogonal LC–MS/NMR) to rule out degradation from shipping/handling.
Documentation:
For all item-specific specifications not listed here (e.g., salt form, residual solvents), see the accompanying CoA/Spec Sheet.
Reaction and Applications
This catalog entry is positioned as a small-molecule screening compound rather than a synthetic reagent. Therefore, classical organic “reaction applications” (e.g., use as a catalyst, coupling partner, or reagent) are not typically applicable.
Research applications (general for Moligand-grade compounds):
Chemical biology: Probe development, target engagement studies (e.g., CETSA, DARTS) after in-house validation.
Screening: HTS, biochemical and cell-based assays for hit identification; follow-up potency/selectivity profiling.
SAR: Analog-by-catalog and analog synthesis around the chemotype once the structure is confirmed from CoA/literature.
ADME/PK assay panels: As a reference compound in microsomal stability, permeability, and plasma protein binding studies (non-clinical research).
Analytical reference: LC–MS method development and calibration for discovery workflows.
Practical tips (general):
Prepare DMSO stocks under dry conditions; aliquot to minimize freeze–thaw cycles if storing sub-zero (if you choose to store cold; product data permits room temperature).
Validate absence of aggregates in assays (e.g., include detergent, use DLS or counterscreens) to avoid false positives.
If using as a positive control, confirm target and activity from your internal data or primary literature; target specificity is Not specified for this item.
Reaction Conditions
Conventional reaction condition guidance is not applicable, as this product is not positioned as a reagent or catalyst and the structure is not provided.
General laboratory use conditions for screening compounds:
Stock preparation: Often prepared at 10–50 mM in anhydrous DMSO (practice guidance; not item-specific). Validate clarity and absence of precipitate.
Dilution into assay media: Add to buffers or culture media to reach desired test concentrations while keeping final DMSO at ≤1–2% v/v when possible.
Stability checks: Monitor by LC–MS/HPLC after storage or repeated freeze–thaw cycles to ensure integrity. Light and moisture sensitivity are unknown for this item; handle conservatively until data are available.
If you intend to use this compound in a chemical reaction as a substrate/intermediate:
No item-specific reaction guidance, catalysts, or yields are available. Consult primary literature linked to the compound’s structure.
All temperatures, times, and conditions above are general best practices for screening compounds and are not specifications for this item.
Safety and Handling
Hazard classification is not provided in the Product Data. Always consult the SDS for authoritative, lot-specific safety information.
GHS classification: Not specified for this item; refer to SDS.
Signal word / pictograms / H-statements: Not specified for this item; refer to SDS.
Storage conditions (from Product Data): Store at room temperature.
General laboratory precautions for small-molecule screening compounds:
PPE: lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Use in a fume hood to avoid inhalation of dust/aerosols.
Avoid contact with skin/eyes; do not ingest; for research use only.
Incompatibilities: Unknown for this specific item. As a precaution, segregate from strong oxidizers and acids/bases until SDS confirms compatibility.
Spill response: Collect solids with disposable tools; for solutions, absorb with inert material. Dispose of as hazardous chemical waste following local regulations.
First aid (general): Inhalation—move to fresh air. Skin/eye contact—rinse with water for several minutes. Ingestion—rinse mouth; seek medical attention. Always follow SDS directions.
Waste and environmental notes:
Do not discharge to drains. Dispose via licensed chemical waste contractors. Keep accurate records of solvent/solute identity for proper classification.
Solvent Selection
Item-specific solubility is not provided. The guidance below reflects common practices for small-molecule screening compounds.
Primary stock solvent: Anhydrous DMSO is frequently the first choice due to broad solvating power and assay compatibility at ≤1–2% v/v.
Alternative solvents (general): DMF, acetonitrile, ethanol, methanol. Water miscibility and solubility are structure-dependent.
Co-solvent strategies: For difficult solubilization, use DMSO with a minor fraction of ACN/EtOH, gentle warming (to ~37 °C), and vortex/sonication. Filter if compatible.
Selection considerations (general):
Assay compatibility: Choose solvents tolerated by the biological system; minimize final DMSO to avoid off-target effects.
Stability: Avoid prolonged exposure to aqueous buffers if hydrolytically labile species are suspected; prepare fresh dilutions.
Adsorption: Hydrophobic compounds can adsorb to plastics; prefer low-bind polypropylene or glass vials and assay plates.
Comparison snapshot (general):
DMSO: Highest solvency; excellent for 10–50 mM stocks; may affect some enzymes/cells above 1–2%.
Acetonitrile: Low viscosity; miscible with water; less biocompatible at higher percentages.
Ethanol/Methanol: Good miscibility; protein denaturation risk in bioassays at higher levels.
Note: Item-specific solvent recommendations, stability in given media, and exact solubility limits are Not specified for this item; refer to CoA/Spec Sheet.
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 practice for screening compounds; not item-specific):
Solvent: Begin with anhydrous DMSO to prepare a concentrated stock (e.g., 10–50 mM). Actual solubility limit is Not specified for this item; determine empirically.
Technique: Warm gently to room temperature, vortex, and sonicate briefly if needed. Avoid excessive heating. If particulates persist, consider a compatible co-solvent or 0.2 µm filtration (PTFE/RC).
Aliquoting: Dispense into single-use aliquots to minimize freeze–thaw. Label with concentration, date, and lot.
Short- and long-term handling (general):
Although room temperature storage is indicated, many laboratories keep DMSO stocks at −20 °C to reduce degradation; equilibrate to room temperature before opening to avoid moisture ingress. Protect from light if the structure suggests chromophores (not specified here).
Stability and retest: Not specified for this item; confirm by LC–MS/HPLC after extended storage.
All unspecified parameters (water content, residual solvents, salt form, exact purity): Not specified for this item; refer to CoA/Spec Sheet. Research use only.
Structure and Identity
Brief overview: GSK1331258 is listed as a small-molecule screening compound (Moligand grade). Item-specific structural identifiers are largely not provided in the current product data.
Product name: GSK1331258 (research-use small molecule)
CAS: 1207197-68-9 (catalog identifier)
PubChem CID: 46190877 (catalog identifier)
InChIKey (from Product Data): 31786
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):
Specific functional groups, ring systems, and stereochemistry are not provided for this catalog entry. For detailed structural interpretation (2D depiction, heteroatom content, stereocenters), consult the compound’s CoA/Spec Sheet or the primary literature associated with this identifier.
Notes on identity control in screening collections (general best practices):
Verify identity by orthogonal methods where feasible: LC–MS (accurate mass), 1H/13C NMR, and HPLC purity profiling.
Track batch/lot numbers; record solvent form (dry solid vs. solution) and any salt/solvate/hydrate status if applicable (not specified for this item).
Synthetic Utility
GSK1331258 is offered as a discrete small-molecule entity for screening rather than as a synthetic building block or reagent. Without a disclosed structure, its synthetic reactivity profile cannot be summarized specifically.
General options for leveraging screening compounds in synthesis workflows:
Reference standard: Use as an analytical comparator to qualify internally synthesized analogs (co-injection on HPLC/LC–MS, matching NMR and MS data).
Derivatization (when structure is known and chemistry permits): Late-stage functionalization can create analog libraries for SAR; typical transformations include amide couplings, Suzuki/Miyaura cross-couplings, SNAr/SN2 substitutions, or heteroatom alkylations. These are general possibilities only; item-specific feasibility is unknown.
Salt/solid-form work: If the free base/acid is known, forming alternative salts/solvates may modulate solubility for assays; item-specific salt form is Not specified for this item.
Constraints:
Do not assume reactive handles are present. Review the compound’s structural dossier (CoA/literature) before attempting derivatization.
For metal-catalyzed steps, residual metal specifications for this item are Not specified; purify and confirm metals by ICP-MS if required.
Target Specificity
Item-specific biological target(s), binding site/epitope, species selectivity, or mode of action are Not specified for this item; refer to CoA/Spec Sheet and primary literature.
Guidance for establishing target specificity (general):
Use orthogonal target engagement methods (e.g., CETSA, SPR/ITC, NanoBRET) alongside activity assays to confirm on-target effects.
Run selectivity panels against homologous proteins and common anti-targets to deconvolute phenotypic outcomes.
Control for assay interference (fluorescence quenching, redox cycling, aggregation) to reduce false positives.
No clone/isotype/epitope information is relevant, as this is a small molecule rather than an antibody.
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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