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 pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four 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.
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Application Protocols
General protocols for small-molecule screening compounds (adjust once structure/solubility is confirmed for this item):
Stock preparation
Weigh quickly in a fume hood; minimize air/light exposure until stability is known.
Prepare a DMSO stock at 10–50 mM. Vortex and, if needed, sonicate briefly. If undissolved, evaluate alternative solvents (DMF, EtOH) or gentle warming (≤37 °C).
Optional: Clarify by brief centrifugation. Avoid filtration if mass loss to membranes is suspected; confirm by LC–UV/MS.
Plate handling
Dispense via acoustic or pin tools to minimize DMSO carryover. Seal plates to limit evaporation, especially in long incubations.
Maintain constant vehicle concentration across all wells, typically 0.1–1% v/v DMSO.
Assay execution
For biochemical assays, pre-incubate compound with target when appropriate; include detergent (0.01–0.05% Tween 20) to reduce aggregation artifacts.
For cell-based assays, confirm tolerance to vehicle; stagger additions to maintain consistent exposure times.
Quality control
Verify final concentration by back-calculation using calibrated dispense volumes; spot-check by LC–MS if critical.
Record any precipitation or color changes. Store leftover stocks in aliquots to avoid repeat freeze–thaw.
Safety note: Use only in research settings with appropriate approvals. Consult the SDS for handling and disposal.
Biological Roles
Specific biological functions, targets, or pathways for NSC157058 are not provided in the current listing. Therefore, no item-specific biological role can be stated.
General guidance for researchers using screening compounds
Target triangulation: If literature exists for PubChem CID 423738, corroborate reported targets using orthogonal assays (e.g., biochemical vs cellular) and counter-screens for frequent hitters (e.g., redox cycling, metal chelation, colloidal aggregation).
Chemoinformatics: Once the structure is confirmed, compute key descriptors (cLogP, TPSA, pKa) to anticipate permeability, solubility, and efflux liability. Compare to established heuristics (e.g., Ro5, CNS MPO) if relevant to your assays (literature guidance).
Liability assessment: Screen for PAINS motifs, assay-interfering substructures (fluorophores, quenchers), and reactive functionalities (Michael acceptors, quinones) that can confound readouts.
ADME-in-a-bottle: If progressing beyond primary screening, perform in vitro solubility, stability (pH 1–8), microsomal stability, and basic permeability assays to contextualize hits.
Important: No medical or clinical claims are made or implied. This material is for research use only. All putative biological roles must be substantiated experimentally under your specific assay conditions.
Buffer Applications
This product is a small-molecule screening compound rather than a buffering reagent; it is not intended to define pH. However, its performance in assays is sensitive to buffer composition and co-solvent levels.
Practical assay-buffer considerations (general)
Vehicle control: Match the final DMSO (or other vehicle) concentration across all wells (typical 0.1–1% v/v) to isolate compound effects.
Common buffers: PBS, HEPES, or Tris at 10–50 mM, pH matched to the biological target (e.g., 7.2–7.5 for many enzyme assays). Include 0.01–0.05% nonionic surfactant if colloidal aggregation is suspected.
Protein binding: Serum proteins or BSA can alter free concentration; assess shift in apparent potency with and without protein present.
Metal sensitivity: If the compound is a potential chelator (unknown here), avoid excessive free metal ions in the buffer or include defined metal chelators in controls to diagnose metal-dependent effects.
Adsorption: Low-binding plastics and preconditioning with vehicle can reduce loss for hydrophobic chemotypes.
Note: Optimize pH, ionic strength, and co-solvent percentage empirically once the compound’s ionization and stability profile are confirmed. Always document exact buffer recipes in your ELN for reproducibility.
Green Alternatives
In the absence of a disclosed structure, greenness focuses on how you formulate, handle, and dispose of screening compounds rather than on the molecule itself.
Greener formulation choices (general)
Prefer DMSO or bio-based solvents (e.g., Cyrene, 2-MeTHF, ethanol) over chlorinated solvents when feasible for stock preparation and assay dosing.
Use miniaturized assay formats (384/1536-well) to cut solvent consumption and hazardous waste.
Apply plate-based acoustic dispensing to minimize DMSO volumes and plastics.
Comparison of common vehicles (general)
DMSO: High solvency; moderate EHS profile; widely accepted in HTS.
Ethanol: Renewable feedstock; better EHS; limited for highly lipophilic compounds.
2-MeTHF: Bio-derived; favorable safety vs THF; not water-miscible—mainly for synthesis, not assays.
Consolidate compound handling sessions to reduce freeze–thaw cycles and waste.
Employ waste segregation (halogenated vs non-halogenated) to enable greener disposal routes.
Where applicable, use solid dispensing to avoid solvent use during plating, followed by on-plate dissolution with minimal vehicle.
Note: Always verify compound stability and assay compatibility when switching vehicles; even “greener” solvents can introduce biological artifacts if used at excessive percentages.
Pharmaceutical Uses
No pharmacopeial status, excipient role, or formulation use is provided for this item. It is supplied strictly as a research-only screening compound and is not intended for human or veterinary use.
Context for formulation scientists (general)
If used as a tool compound in preclinical research, typical vehicles for in vivo/ex vivo studies include combinations of saline/buffer with co-solvents (e.g., DMSO, PEG-400, ethanol) and surfactants (e.g., Tween 80). Vehicle development must be guided by compound-specific solubility and stability, which are not specified here.
Do not infer any therapeutic application from the NSC designation; NSC numbers originate from historical screening libraries and encompass diverse chemotypes.
If a salt form is advantageous (dependent on ionizable groups, unknown here), select counterions with established safety and stability in your experimental system.
Compliance reminder
For research use only. Not for diagnostic procedures, clinical applications, or human/animal consumption.
Follow institutional and regulatory guidelines for handling investigative chemicals outside of GMP/GDP frameworks.
Physical Properties
Item-specific physicochemical constants are not provided in the current listing. Do not treat the following as specifications; use them as general screening best practices only.
State/appearance: Not specified for this item; refer to CoA/Spec Sheet.
Melting point / Boiling point: Not specified for this item; refer to CoA/Spec Sheet.
Density / Refractive index: Not specified for this item; refer to CoA/Spec Sheet.
LogP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.
Solubility (general guidance): For diverse screening compounds, initial stock preparation is typically in anhydrous DMSO (e.g., 10–50 mM), followed by aqueous dilution with ≤0.1–1% final DMSO in biological assays (general practice, literature). Actual solubility must be verified experimentally for this lot.
General laboratory guidance (literature/best practice)
Create a small solubility panel: DMSO, DMF, ethanol (EtOH), acetonitrile (MeCN), and water or buffer with 0.01–0.1% nonionic surfactant if needed.
Evaluate stability at assay-relevant pH (e.g., pH 6.5–7.4) and light sensitivity via quick UV–Vis scans (200–600 nm) to detect aggregation/precipitation.
If the compound contains ionizable groups (unknown here), controlled pH adjustment or salt formation can substantially improve aqueous solubility; confirm by LC–UV and nephelometry.
Important: For any property not listed on the CoA, measure directly under your intended conditions (temperature, solvent, pH) before scale-up or HTS deployment.
What this indicates: Moligand™ items are positioned for small-molecule research and ligand discovery workflows. For this specific catalog entry, exact purity metrics, residual solvent limits, and analytical verification methods are not included in the listing.
Item-specific quality details
Purity, assay method(s), residual solvents/metals, water content, UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet.
How to qualify the material in your lab (best practices)
Identity check: Acquire a quick LC–MS (single quad or high-res) and compare retention and mass to CoA references.
Purity assessment: Analytical HPLC (e.g., 254 nm plus a secondary wavelength) with gradient MeCN/H2O + 0.1% formic acid or ammonium formate as appropriate.
Solubility screen: Verify achievable DMSO concentration without visible precipitation at room temperature and following two freeze–thaw cycles.
Adsorption/stickiness: For hydrophobic/aromatic compounds, pre-rinse tips and vials with DMSO to reduce loss at low micromolar levels.
Documentation and traceability
Record vendor lot, receipt date, and any in-house analytical data in your ELN. Attach the CoA/SDS for audit-readiness.
Important: Treat any unspecified parameter above as “unknown” until confirmed with the lot-specific CoA/SDS.
Reaction & Applications
This catalog entry is part of a screening-oriented small-molecule collection and is not primarily positioned as a synthetic reagent. Consequently, classical “reaction application” guidance (e.g., as a solvent, base, or coupling partner) does not typically apply.
Research applications (general for screening compounds)
Assay development: Use as a test article in biochemical binding, enzyme inhibition, or phenotypic cell-based assays, subject to solubility and stability verification.
SAR/medchem: Combine with close analogs (if available) to establish preliminary structure–activity relationships.
Orthogonal readouts: Employ multiple assay formats (fluorescence, luminescence, label-free) to rule out reporter interference or aggregation.
QC and plate handling: Validate concentration by UV or LC–MS; confirm absence of precipitate post-dilution into assay buffer.
If you intend to use NSC157058 in chemical reactions
Without a defined structure, reactivity cannot be predicted. Do not deploy in synthetic sequences until the full structural identity and functional groups are verified (consult CoA/pub. databases for CID 423738).
Run small-scale pilot reactions with in-process LC–MS monitoring to detect degradation, electrophile/nucleophile behavior, or redox liability.
Note: Replace generic guidance with structure-specific practices once the definitive structure is confirmed from the CoA or trusted databases.
Reaction Conditions
Not typically applicable. NSC157058 is supplied as a small-molecule screening compound rather than a reagent intended for use in named synthetic reactions. No item-specific reaction condition data (solvent, temperature, catalysts, or yields) are provided.
If experimental transformations are nonetheless attempted (general guidance only)
Start with micro-scale trials (≤5 mg) under inert atmosphere if the compound’s air/moisture sensitivity is unknown.
Choose mild conditions and orthogonal analytics (LC–MS, TLC, UV–Vis) to monitor integrity.
Avoid strong acids/bases and oxidants/reductants until stability is characterized.
Control temperature ramps and add reagents slowly to prevent exotherms with unknown energetic profiles.
Important: Do not construe this as suitability for any specific transformation. Establish reactivity only after the full structure is known and safety has been assessed.
Safety & Handling
No GHS classification or hazard statements are provided for this item; handle as a compound of unknown hazards under a precautionary, research-use-only framework.
Item-specific safety data
Signal word: Not specified for this item; refer to SDS.
H-statements / P-statements: Not specified for this item; refer to SDS.
GHS pictograms: Not specified for this item; refer to SDS.
General laboratory precautions (defer to SDS for authoritative guidance)
PPE: Lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., disposable nitrile). Use in a fume hood to avoid inhalation of dusts/aerosols.
Avoid contact with skin and eyes; prevent ingestion and inhalation. Wash thoroughly after handling.
Unknown reactivity: Keep away from strong oxidizers and strong acids/bases until compatibility is established. Avoid heat, sparks, and open flame for organics of unknown flash point.
Weighing/aliquoting: Minimize exposure; use antistatic tools for powders and sealed microtubes for DMSO stocks.
First aid (overview; consult SDS): In case of skin/eye contact, rinse with water for ≥15 minutes. If inhaled, move to fresh air. If ingested, seek medical attention; do not induce vomiting unless directed by medical personnel.
Spill and disposal: Absorb small spills with inert material; dispose of waste in accordance with institutional and local regulations for organic laboratory chemicals.
Note: Always consult the product-specific SDS and your institutional EHS policies before use.
Solvent Selection
Because the molecular structure is not provided here, choose solvents using a tiered screening approach. Begin with robust, broadly compatible solvents used for discovery chemistry and bioassays; refine once the structure/ionization is confirmed.
Primary stock solvent (general practice): DMSO, anhydrous, for 10–50 mM stocks. Advantages: high solvency for diverse chemotypes, miscible with water; Disadvantages: potential assay interference at high %.
Secondary options: DMF (high solvency; hygroscopic), ethanol (biocompatible; limited solvency for highly lipophilic compounds), acetonitrile (volatile; good for LC compatibility), isopropanol (for intermediate polarity), and buffered aqueous media with co-solvent if ionizable.
Aqueous dosing: Keep final DMSO at ≤0.1–1% v/v in cellular/biochemical assays to minimize solvent effects (general literature guidance).
Small comparison (general)
DMSO: Maximum solvency; may affect membrane integrity above ~1–2%.
MeCN: Good for analytical compatibility; limited biological compatibility above ~0.5%.
PEG-400: Useful for poorly soluble compounds in vivo-like vehicle studies; viscous and can affect assay readouts.
Practical tips
If precipitation appears upon dilution, pre-warm to 37 °C and add compound stock last while vortexing.
For ionizable compounds (once known), leverage pH adjustment or counterion selection to increase aqueous solubility.
Filter 0.22 µm only if the compound is not significantly adsorbed; run a mass-balance check to ensure no loss on the membrane.
Storage & Reconstitution
Item-specific conditions (from Product Data)
Storage Conditions: Room temperature
Shipped In: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
General storage guidance for small-molecule screening compounds
Solid form: Store tightly closed in a desiccated, inert environment at room temperature unless the CoA/SDS indicates otherwise. Protect from light if chromophoric or photo-labile motifs are suspected (unknown here).
Solution stocks: Prepare single-use aliquots in anhydrous DMSO (typ. 10–50 mM). Store at −20 °C or −80 °C in amber vials to limit hydrolysis/oxidation and evaporation. Avoid repeated freeze–thaw cycles (≤3 recommended); thaw at room temperature and vortex before use.
Stability checks: Periodically assess by LC–MS/HPLC for degradation, especially after 3–6 months of storage or multiple thaws.
Reconstitution (general)
Add an appropriate volume of anhydrous DMSO to achieve the target concentration; vortex/sonicate gently until fully dissolved.
If aqueous use is required, dilute the DMSO stock into pre-warmed buffer with vigorous mixing; keep final DMSO ≤0.1–1% v/v unless assay tolerates more.
Note: Where any parameter is not specified above, defer to the lot-specific CoA and SDS. For critical studies, verify stability and concentration immediately prior to use.
Structure & Identity
Brief overview: NSC157058 is supplied as part of Aladdin’s Moligand small-molecule collection for research screening. Structure-defining identifiers are incomplete in the current listing; please consult the CoA/Spec Sheet for definitive identity data prior to critical use.
SKU: N612409
Product Name: NSC157058 (NCI/NSC series identifier)
Category: Small molecules and compound libraries (screening collection)
CAS: Not specified for this item; refer to CoA/Spec Sheet.
PubChem CID (from Product Data): 423738
InChIKey (from Product Data): 318630 (note: this does not follow standard InChIKey format; verify on CoA/PubChem)
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
Specific functional groups, ring systems, and stereochemistry: Not specified for this item; refer to CoA/Spec Sheet and authoritative databases (e.g., PubChem CID 423738) for a validated 2D/3D structure.
Practical identity notes
NSC numbers originate from the U.S. National Cancer Institute compound repository; the same NSC tag may appear across multiple vendors. Always reconcile: NSC#, CAS (if available), PubChem CID, and spectral data.
For unambiguous identification in your ELN, attach the vendor CoA (NMR/LC–MS) and, if feasible, record a lot-specific LC–MS chromatogram upon receipt (general best practice).
Synthetic Utility
This catalog entry is intended as a screening compound, not as a synthetic building block or reagent. Without a disclosed structure, no specific synthetic transformations can be responsibly recommended.
General considerations if synthetic use is contemplated
Confirm full structure and functional groups via primary data (NMR, HRMS) and trusted databases before planning any transformations.
Map potential liabilities: hydrolyzable esters/amides, reducible/oxidizable motifs, and electrophilic warheads that could complicate reaction setup or product isolation.
Protection/deprotection: If polyfunctional, design orthogonal protection strategies only after establishing pKa and chemoselectivity trends experimentally.
Analytics: Employ in-process LC–MS and, where applicable, reaction calorimetry for novel transformations on unknown scaffolds.
Bottom line: Until the definitive structure is established (e.g., via CoA and corroborating literature such as PubChem CID 423738), treat NSC157058 as a research article for screening rather than a synthetic intermediate.
Target Specificity
No target annotation is provided for this product. There is no antigen/epitope, clone, or species reactivity associated with this item (it is not an antibody or biological).
Reported targets/mechanisms: Not specified for this item; consult the primary literature or databases if available for PubChem CID 423738.
Off-target risks: Unknown. Employ orthogonal assays and counter-screens to evaluate specificity if biological activity is observed.
Recommendation: If you identify a putative target, validate with dose–response curves, kinetics (if enzymatic), chemical probe criteria, and, where possible, structure-based or mutagenesis evidence.
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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