Zaloglanstat - Moligand™, 10 mM in DMSO , CAS No.1513852-12-4

CAS: 1513852-12-4 Cat. No.: Z1496816 PubChem CID: 136246033

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Zaloglanstat (ISC-27864) is a selective and orally active inhibitor of microsomal prostaglandin E synthase-1 (mPGES-1) with an IC 50 of 5 nM. Zaloglanstat inhibits PGE 2 release of IC 50 at 161 nM and 154 nM in whole blood of pigs and dogs, respectively. Zaloglanstat can be used in studies of asthma, osteoarthritis and neurodegenerative diseases .

Specifications

Specifications & Purity

Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Names and Identifiers

• Isomeric SMILES: CC(C)(C)C(=O)NCC1=CC(=C(C=C1)Cl)C2=NN(C(=O)N2)C3=CC=C(C=C3)C(F)(F)F
• PubChem CID: 136246033

Application Protocols

• Item-specific facts (from Product Data)
  • No validated protocols are provided for this SKU. The following outlines general, non-prescriptive workflows for small-molecule ligands.
• Example workflow: preparing DMSO stocks
  • Equilibrate vial to ambient temperature in a desiccator to avoid condensation. Weigh quickly. Dissolve in anhydrous DMSO to make a concentrated stock after confirming solubility. Vortex and, if needed, sonicate briefly. Filter through 0.2 µm PTFE if particulates persist.
  • Aliquot into low-bind, amber tubes; flush headspace with inert gas if oxidation-sensitive (determine experimentally). Store at −80°C.
• Example workflow: biochemical dose–response assay
  • Prepare serial dilutions in assay buffer ensuring constant DMSO across wells (e.g., 0.5% v/v). Include vehicle and positive control. Incubate at defined temperature/time per assay biology. Read signal; fit IC50/EC50 using a 4PL model. Confirm absence of precipitation by inspection or light scattering.
• Example workflow: biophysical binding (SPR/BLI)
  • Immobilize target under mild conditions. Run a solvent correction series spanning your DMSO %. Inject Zaloglanstat at multiple concentrations (ascending/descending). Analyze for 1:1 vs complex binding; check for mass transport limits and non-specific signals.
• Quality controls
  • Verify pre/post-assay integrity by LC–MS. Repeat key points with independent aliquots to rule out freeze–thaw effects.
• Note: Adjust specifics (concentrations, times) to your system; these are general guidelines.

Biological Roles

• Item-specific facts (from Product Data)
  • No biological role, target, or pathway is specified for Zaloglanstat in this listing. For research use only.
• General context for small-molecule ligands
  • Such compounds are evaluated as putative binders/modulators of proteins, nucleic acids, or other biomolecular targets. Their “biological role” in research is to perturb or report on pathway function under controlled experimental conditions.
  • Typical studies include target engagement (e.g., CETSA/DSF), enzymatic modulation (IC50/Ki determination), and phenotypic profiling (transcriptomics/proteomics response mapping).
  • Off-target and assay-interference risks are addressed via counterscreens, orthogonal biophysical validation, and physicochemical profiling (solubility, stability, aggregation, redox, photoreactivity).
  • If a specific biological role is later defined for Zaloglanstat (e.g., confirmed target and mechanism), integrate that information with dose–response, time-dependence, and cellular exposure data to build a coherent MoA narrative.
• Note
  • No clinical or therapeutic claims are made or implied. All work should remain within non-clinical research settings.

Buffer Applications

• Applicability
  • Zaloglanstat is not a buffering reagent. This section pertains to buffer considerations when dosing small molecules into biological assays.
• Practical guidance (general)
  • Use biologically relevant buffers (e.g., HEPES, PBS, Tris) at appropriate pH and ionic strength for your target system; maintain constant DMSO concentration across all wells, including controls.
  • Include low levels of nonionic detergent (e.g., 0.01–0.05% Tween-20) if compatible to mitigate nonspecific adsorption and colloidal aggregation.
  • Filter buffers (0.22 µm) and degas if using optical or microfluidic platforms sensitive to bubbles (e.g., SPR/BLI).
  • Add compound last to pre-equilibrated buffer/media to reduce localized supersaturation; consider intermediate aqueous–organic premixes for better dispersion.
• Item-specific note
  • No Zaloglanstat-specific buffer recipes or pKa data are provided in this listing; optimize empirically for your assay.

Green Alternatives

• Applicability
  • As a discrete small-molecule ligand, the “green” discussion focuses on solvent and workflow choices rather than replacing the compound itself.
• Greener solvent strategies (general)
  • Prefer aqueous buffers with minimal DMSO content compatible with solubility and assay performance.
  • Consider bio-based or lower-toxicity co-solvents (e.g., ethanol) when assay-tolerant, recognizing possible impacts on protein stability or cell membranes.
  • Minimize solvent volumes via microplate miniaturization and acoustic dispensing to reduce waste.
• Comparison (general)
  • DMSO vs 2-MeTHF/CPME: DMSO remains the standard for stock solutions in screening due to miscibility with water and low volatility; ethers like 2-MeTHF/CPME are typically not used in aqueous bioassays but may be relevant for synthetic or preparative steps.
  • Acetonitrile vs ethanol: Acetonitrile offers cleaner LC–MS baselines but is toxic/volatile; ethanol is greener but can be assay-disruptive at similar percentages.
• Operational improvements
  • Use reusable cold-chain shippers and consolidate shipments to lower carbon footprint.
  • Implement on-demand aliquoting and barcoded inventory to reduce discarded, expired stocks.
• Item-specific note
  • No compound-specific green alternative is relevant for Zaloglanstat itself; optimization should focus on solvent and process choices.

Pharmaceutical Uses

• Item-specific facts (from Product Data)
  • No pharmacopeial status, formulation role, or excipient use is specified for Zaloglanstat.
  • Research use only; not for human or veterinary use.
• General information
  • Small-molecule ligands at the discovery stage may be formulated for in vitro and ex vivo studies (e.g., DMSO stocks, cyclodextrin complexes, or lipid-based carriers) to improve apparent solubility and stability. Any preclinical formulation should be tailored to experimental goals and stability data.
  • If used as a reference or analytical standard, ensure traceability via CoA and retain sample custody records to support data integrity.
• Note
  • No therapeutic claims are made. This product is not an API and is supplied solely for laboratory research.

Physical Properties

• Item-specific facts (from Product Data)
  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • Physical state (solid/liquid), color: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
  • Solubility (water/organic), logP, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.
  • Melting point/boiling point, density: Not specified for this item; refer to CoA/Spec Sheet.
• Literature/general information
  • Screening compounds are commonly supplied as solids and reconstituted in anhydrous DMSO to make concentrated stocks (e.g., 10–50 mM), then diluted into assay buffers. However, actual solubility and stability are compound-specific and must be verified empirically.
  • For unknown ionization behavior, evaluate pH-dependent solubility (pH 2–10) and co-solvent tolerance (DMSO 0.1–2% v/v in assay) to avoid precipitation.
  • Stability considerations: Assess thermal stability by DSC/TGA and chemical stability by time-course LC–MS in chosen solvent (e.g., DMSO, acetonitrile, buffer) and in presence of light/air as appropriate.

Quality & Grades

• Item-specific facts (from Product Data)
  • Grade: Moligand™ (Aladdin Scientific screening/small-molecule library quality).
  • Batch-specific purity, identity, water/solvent content, and residual metals: Not specified for this item; refer to CoA/Spec Sheet.
• What Moligand™ implies (general)
  • Intended for hit-finding, mechanistic, and profiling studies where compound identity and chemical cleanliness are essential for interpretable biological or biophysical data.
  • Typical QC for library-grade ligands includes LC–MS purity profiling, confirmation of molecular ion, and 1H NMR; orthogonal methods (HRMS, 13C NMR, qNMR, KF water) may be provided or available on request. Exact tests for this SKU are defined in the batch CoA.
  • Low non-volatile residue and controlled counter-ions/salts (if applicable) facilitate reproducible assay performance and minimize artifactual readouts (e.g., aggregation, fluorescence interference).
• Practical notes for users
  • Request and review the current CoA before critical studies; verify that identity and purity meet your assay acceptance criteria.
  • If your application is light- or metal-sensitive (e.g., photoassays, metalloenzymes), consider in-house verification (UV–Vis background, residual metals by ICP-MS) as needed.
  • Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet.

Reaction & Applications

• Item-specific facts (from Product Data)
  • Category: Small molecules and compound libraries (Moligand™).
  • Manufacturer note: For research use only.
• Research/application contexts (general for screening ligands)
  • Biochemical assays: Use in enzyme activity/inhibition assays, binding assays (SPR, BLI, FP), and thermal shift assays (DSF) to evaluate target engagement and ligand efficiency.
  • Biophysical characterization: Assess binding kinetics/affinity by SPR or ITC after confirming solubility and absence of aggregation (check by DLS or detergent sensitivity tests).
  • Cell-based/phenotypic screens: Evaluate pathway modulation or cytotoxic/cytostatic effects with appropriate controls (vehicle, positive/orthogonal probes); monitor for PAINS-like behaviors and redox cycling.
  • Orthogonal confirmation: Support hits with secondary assays and counterscreens for assay interference (fluorescence quenchers/emitters, metal chelation, redox activity, colloidal aggregation).
  • Analytical controls: Include purity checks by LC–MS pre- and post-assay to confirm chemical stability in the assay matrix/timeframe.
• Practical tips
  • Prepare fresh DMSO stocks or use single-use aliquots; avoid repeated freeze–thaw cycles.
  • Determine maximum soluble concentration (MSC) in assay buffer; perform serial dilutions from well-solubilized intermediate stocks to minimize precipitation.
  • Monitor compound carryover and plate effects; utilize low-binding plastics and consistent incubation conditions.
• Note: No target, mechanism, or reactivity is specified for Zaloglanstat in this listing; applications should be tailored based on user-defined biological hypotheses and validation data.

Reaction Conditions

• Applicability
  • This section is not typically applicable to a finished small-molecule screening ligand whose structure and reactivity are not specified here.
• General research guidance
  • If employing Zaloglanstat in biochemistry/cell assays, “reaction conditions” translate to assay conditions: temperature (e.g., 4–37°C as appropriate), buffer composition, DMSO percentage, incubation time, and detection modality. Optimize these empirically and control for vehicle effects.
  • For any derivative synthesis or analogue preparation, consult the disclosed structure and literature precedents for functional-group-compatible conditions. Without structure, no reliable, specific conditions can be recommended.

Safety & Handling

• Item-specific facts (from Product Data)
  • Storage conditions: Store at −80°C.
  • Shipping: Dry ice packs + cold packs.
  • GHS classification, signal word, pictograms, H-statements: Not specified for this item; refer to SDS.
  • Research use: For research use only.
• General safety guidance (always defer to SDS)
  • Handle in a chemical fume hood with appropriate PPE: lab coat, safety glasses, and suitable gloves (e.g., disposable nitrile); change gloves regularly when working with DMSO solutions.
  • Avoid inhalation, ingestion, and skin/eye contact. Prevent aerosol formation during weighing and solution preparation.
  • Incompatibilities: Unknown for this specific compound; as a precaution, avoid strong oxidizers/reductants, strong acids/bases, and reactive acylating/alkylating agents unless compatibility is established.
  • First-aid overview: In case of skin contact, wash with soap and water. For eye contact, rinse cautiously with water for several minutes and seek medical advice. If inhaled, move to fresh air; if swallowed, rinse mouth and seek medical attention. Always consult the SDS for definitive measures.
  • Waste disposal: Collect solutions and contaminated materials as organic hazardous waste in accordance with institutional and local regulations.
  • Special risks: If preparing DMSO stocks, remember that DMSO can enhance dermal absorption; prevent skin exposure. Light/air/moisture sensitivity should be assessed experimentally; store under recommended conditions to mitigate unknown degradation pathways.

Solvent Selection

• Item-specific facts (from Product Data)
  • Recommended storage: −80°C. No specified solvent system is provided for this SKU.
• General guidance for small-molecule library compounds
  • Primary stock solvent: Anhydrous DMSO is typically preferred due to broad solvating power and compatibility with high-throughput screening. Prepare concentrated stocks (e.g., 10–50 mM) only after confirming solubility and chemical stability by LC–MS.
  • Aqueous assay dilution: Keep final DMSO at the lowest concentration compatible with solubility and assay tolerance (often 0.1–1% v/v); include vehicle controls.
  • Alternative solvents/co-solvents: Acetonitrile, ethanol, or isopropanol can be used if DMSO is incompatible; test for assay interference (e.g., spectral background, enzyme inhibition).
  • pH control: If ionizable, adjust assay buffer pH to maintain solubility while preserving biological relevance. Utilize cosolvent–buffer mixes (e.g., 0.2–1% DMSO in HEPES, PBS, or Tris) to prevent precipitation on dilution.
  • Adsorption mitigation: For hydrophobic or sticky compounds, include low nonionic surfactant (e.g., 0.01–0.05% Tween-20 or Pluronic F-127) if compatible with the readout.
• Comparison (general)
  • DMSO: maximal solubility, strong dermal penetration risk, low volatility.
  • Acetonitrile: volatile, good for LC compatibility, can denature proteins at higher %.
  • Ethanol/IPA: more biocompatible at modest %, but can affect membrane integrity and some assay enzymes.
• Note: Compound-specific solubility data for Zaloglanstat are not specified; confirm empirically.

Storage & Reconstitution

• Item-specific facts (from Product Data)
  • Storage conditions: Store at −80°C.
  • Shipping: Dry ice packs + cold packs.
  • Appearance and stabilizers: Not specified for this item; refer to CoA/Spec Sheet.
• Reconstitution (general guidance for library compounds)
  • Preferred solvent: Anhydrous DMSO unless otherwise indicated by CoA or solubility tests. Start with a conservative concentration, confirm dissolution visually and by LC–MS, then adjust as needed.
  • Aliquoting: Prepare single-use aliquots in low-bind, preferably amber containers to minimize adsorption and photodegradation risks. Avoid repeated freeze–thaw cycles.
  • Handling: Warm sealed vials to room temperature before opening to prevent moisture condensation. Work quickly in a dry atmosphere if the compound is hygroscopic or moisture-sensitive.
• Stability monitoring
  • Periodically assess stored stocks by LC–MS or HPLC to detect degradation or evaporation-induced concentration drift. Record lot number, preparation date, solvent, and concentration on each aliquot.
• Solution storage (general)
  • For short-term working stocks, colder storage improves stability; follow internal acceptance criteria based on observed stability trends. When in doubt, prepare fresh solutions.
• Note
  • Any specific solubility limits, solution lifetimes, or light/air sensitivities for Zaloglanstat are not specified for this item; consult the CoA/SDS and verify empirically in your use-case.

Structure & Identity

• Item-specific facts (from Product Data)
  • Product name: Zaloglanstat (SKU: Z1496816)
  • CAS: 1513852-12-4
  • PubChem CID: 136246033
  • Grade: Moligand™ (library/screening compound)
  • Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
  • SMILES: Not specified for this item; refer to CoA/Spec Sheet.
  • InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• Literature/general information
  • Structural features: Not publicly provided in this listing. Consult the referenced CAS/CID, CoA, or supplier specification for the definitive 2D/3D structure, functional groups, and any stereogenic centers.
  • 2D description: Without a disclosed structure in this entry, a reliable textual description (ring systems, heteroatoms, substituents) cannot be given here.
  • Identity confirmation: For screening compounds, identity is typically verified by LC–MS (exact mass/retention), 1H NMR, and, where relevant, 13C NMR and HRMS. Request current CoA for Zaloglanstat to confirm identity and batch-specific analytical results.
  • Synonyms: Not specified in this item entry.

Synthetic Utility

• Applicability
  • Zaloglanstat is offered as a Moligand™ screening compound rather than a general synthetic reagent or building block. Without a disclosed structure in this entry, predictive reactivity or transform-based utility cannot be described.
• General guidance
  • If used in medicinal chemistry as a starting point, retrosynthetic analysis should be based on the verified structure (from CoA/CID). Typical operations may include diversification around heteroaromatic cores, amide/urea formation, or C–H functionalization—contingent on the actual functional groups present.
  • For route scouting or analogue synthesis, establish robust analytical controls (LC–MS, NMR, HRMS) and consider scalable, protecting-group-minimized strategies consistent with green chemistry principles.
• Item-specific note
  • No functional-group map, protecting-group strategy, or named-reaction relevance is provided in this listing.

Target Specificity

• Item-specific facts (from Product Data)
  • No target, pathway, or selectivity profile is provided for Zaloglanstat.
• General guidance
  • Establish specificity using a tiered approach: primary activity assay, orthogonal binding method (SPR/BLI/ITC), counterscreens against related family members, and broad off-target panels as appropriate (e.g., kinases, GPCRs, ion channels) depending on hypothesized MoA.
  • Incorporate chemical liability checks (PAINS, covalency, redox activity) and aggregation controls (detergent, BSA, centrifugation) to distinguish true target engagement from artifacts.
• Item-specific note
  • Any claims about specificity must be supported by user-generated data; none are provided in this listing.