LXQ-87 , CAS No.2524718-73-6

CAS: 2524718-73-6 Cat. No.: L1439133 Formula: C₂₃H₁₈Br₂O₅ Peso molecolare: 534.19

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

LXQ-87 is an oral noncompetitive inhibitor of PTP1B with an IC 50 of 1.061 μM, showing hypoglycemic activity. LXQ-87 alleviates insulin resistance and promotes cellular glucose uptake, making it useful for research on type 2 diabetes.

Specifications

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Nomi e identificatori

Peso molecolare

534.19

Application Protocols

• Item-specific

  • No validated application protocols are supplied for LXQ-87.

• General protocols for handling small-molecule screening compounds (not item-specific)

  • Stock solution preparation
    • Weigh the appropriate amount quickly (if hygroscopic behavior is suspected) and dissolve in anhydrous DMSO to 10 mM (or higher if solubility permits).
    • Filter through a PTFE 0.2 µm filter if particulate remains and the volume permits.
    • Aliquot into low-bind tubes or plates; store at −20°C or below. Avoid repeated freeze–thaw cycles.
  • Plate-based screening (384-well example)
    • Dispense 0.5–1.0 µL of compound stock into wells to achieve a final concentration range (e.g., 0.1 nM–50 µM) with consistent final DMSO (e.g., 0.5% v/v).
    • Include vehicle control (DMSO only), positive control (assay-specific), and negative control in each plate.
    • Mix thoroughly after dosing (plate shaker 300–700 rpm, 1–3 min) and incubate per assay requirements.
  • Serial dilution
    • Use acoustic dispensing or positive-displacement pipettes to improve accuracy at low volumes.
    • Prepare intermediate DMSO dilutions to maintain consistent solvent composition.
  • Data quality
    • Monitor for precipitation (visual, turbidity, or light scattering) and adsorption losses (compare polypropylene vs polystyrene if needed).

• Note

  • Adjust volumes and concentrations to your assay format. These are general practices and not validated specifically for LXQ-87.

Biological Roles

• Item-specific

  • No biological mechanism, target, or pathway annotations are provided for LXQ-87. Any biological activity should be determined experimentally by the end-user.

• General context (not item-specific)

  • Compounds in discovery libraries may modulate diverse biochemical targets (enzymes, receptors, transporters) or produce cellular phenotypes. Until a target is validated, treat as an uncharacterized small molecule.
  • Early characterization typically includes:
    • Primary screening against a biological assay of interest with appropriate positive/negative controls.
    • Counter-screens to exclude assay interference (fluorescence quenchers/enhancers, PAINS-like motifs, colloidal aggregation, redox cycling).
    • Orthogonal biophysical assays where applicable (DSF, SPR, MST) to probe binding, if a purified target is available.
  • ADME-relevant observations (permeability, microsomal stability, plasma protein binding) can contextualize apparent potency; these are assay- and structure-dependent and are not known for LXQ-87.

• Important note

  • No claims of biological function or therapeutic relevance are made for this item. It is provided strictly for research use, screening, and method development.

Buffer Applications

• Applicability

  • LXQ-87 is a small organic test article, not a buffer component. However, buffer composition strongly influences solubility, stability, and assay readouts when dosing small molecules from DMSO.

• General guidance for preparing assay buffers with small-molecule additions (not item-specific)

  • Maintain constant final DMSO across all wells (e.g., 0.1–1% v/v) to eliminate solvent bias.
  • Include surfactants (e.g., 0.01–0.05% Tween-20 or 0.01% Triton X-100) only if compatible with the assay and needed to prevent precipitation/adsorption.
  • Typical buffer systems (literature examples):
    • Phosphate-buffered saline (PBS), pH 7.2–7.6: general biochemical assays.
    • HEPES, 25–50 mM, pH 7.2–7.6: cell-based and enzyme assays with good pH stability near ambient conditions.
    • Tris, 25–50 mM, pH 7.4–8.0: enzyme assays; be aware of temperature-dependent pKa.
  • Filter buffers (0.22 µm) and degas if optical/biophysical methods are sensitive to bubbles.

• Practical tips

  • Dose compound last into well-mixed buffer/assay mix to avoid local supersaturation.
  • Pre-wet tips and use low-retention plastics to minimize adsorption losses.
  • Verify absence of precipitation by visual inspection or light scattering where feasible.

Green Alternatives

• Context

  • With no structural or solubility information for LXQ-87, green chemistry considerations center on solvent choice, handling scale, and waste minimization rather than reaction design.

• General greener practices (not item-specific)

  • Prefer lower-toxicity solvents for dilution where compatible with the compound and assay:
    • Ethanol or 2-propanol for intermediate dilutions if the compound dissolves adequately.
    • Aqueous buffers with minimal DMSO carryover (≤0.5–1% v/v) for final assay solutions.
  • Minimize DMSO usage by preparing higher-concentration stocks and dispensing microvolumes using acoustic or positive-displacement systems.
  • Consolidate waste streams; segregate halogenated solvents if used.

• Comparison (general; select solvent attributes)

  | Solvent | Greenness profile (literature) | Typical role | |---|---|---| | Ethanol | Renewable, low toxicity, biodegradable | Intermediate dilutions; some assays | | Water (buffer) | Benign, but watch pH/salt | Final assay medium | | DMSO | High solvency, moderate EHS burden | Primary stock solvent | | 2-MeTHF | Bio-based ether; flammable | Synthetic steps if derivatization is performed |

• Additional measures

  • Use small-scale assays (384/1536-well) to reduce chemical consumption.
  • Store at −20°C to extend shelf life and reduce re-synthesis needs (item-specific storage confirmed).

Pharmaceutical Uses

• Item-specific

  • No pharmacopeial status, excipient role, or formulation use is provided for LXQ-87. It is labeled for research use only.

• General industry context (not item-specific)

  • Screening compounds like LXQ-87 can be utilized in pre-formulation research to explore solubility enhancement techniques (co-solvents, pH adjustment, cyclodextrins) during early discovery, but such activities are non-clinical and exploratory.
  • No claims are made regarding suitability for human or veterinary applications. Do not use in diagnostic procedures or as an active pharmaceutical ingredient.

• Documentation

  • For any work that informs potential development, capture complete analytical characterization (identity, purity, stability) and maintain chain-of-custody for research records.

Physical Properties

• Item-specific (from Product 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, pKa, logP/logD, water solubility: Not specified for this item; refer to CoA/Spec Sheet.

• General/literature guidance (not item-specific)

  • Screening compounds are commonly supplied as solids with moderate lipophilicity (cLogP ~1–4, literature ranges vary). True values for LXQ-87 are unknown here and must not be assumed.
  • Solubility workflow when properties are unknown:
    1. Start with dry DMSO to prepare a 10–50 mM stock; inspect for clarity and precipitation.
    2. If insoluble, try co-solvents (DMF, ethanol) or salt formation for ionizable compounds (if structure known).
    3. For aqueous assays, dilute DMSO stocks into buffer keeping final DMSO ≤1–2% v/v where assay permits.
  • If the compound is hygroscopic or deliquescent (unknown for this item), weigh quickly in a low-humidity environment and store desiccated at −20°C.

• Measurement tips

  • Determine solubility empirically by serial addition of solvent and visual inspection, supported by HPLC area counts.
  • If a melting point is required for QC, use DSC or capillary MP; record onset and peak temperatures. Always report as measured values, not assumed specs.

Quality and Grades

• Item-specific (from Product Data)

  • Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.

• How to interpret grades and QC for screening compounds (general guidance)

  • Typical library compounds are provided at research grade with LC–MS identity confirmation and purity by HPLC or UPLC (commonly ≥95% area by UV at multiple wavelengths). For LXQ-87, the actual acceptance criteria are not specified here—verify on the CoA.
  • If the product is delivered with salt form or solvate, ensure the CoA reports counterion content and assay on anhydrous basis.
  • UV cutoff and LC baseline characteristics matter for optical assays; if not reported, run a quick UV–Vis scan (200–800 nm) to check for interfering absorbance.
  • Residual solvents and water content may affect weight-by-mass dosing; Karl Fischer and 1H NMR qNMR can be used if high-accuracy dosing is needed.

• Practical recommendations

  • Request or download the CoA/Spec Sheet for: purity method (area% vs weight%), identity (MS/NMR), residual solvents, and salt/hydrate state.
  • Upon receipt, perform an incoming QC spot-check: LC–MS for mass match, analytical HPLC for purity at two wavelengths, and 1H NMR if structure is disclosed.
  • Document lot numbers and retain an aliquot as a reference standard for future comparisons.

Reaction and Applications

• Item-specific (from Product Data)

  • Manufacturer Applications: Not specified for this item.

• Applicability to this compound type (general, not item-specific)

  • As listed, LXQ-87 is part of a small-molecule/compound library. Such materials are typically used as test articles in biological/biochemical assays, target validation, and phenotypic screens rather than as synthetic reagents.
  • Typical research uses include:
    • High-throughput screening (HTS) and fragment/lead identification workflows.
    • Orthogonal assay confirmation and preliminary structure–activity relationship (SAR) exploration when analog sets are available.
    • Physicochemical profiling: solubility, stability, lipophilicity, and permeability measurements.
  • If the structure becomes available and synthetic elaboration is intended, standard transformations (amide couplings, cross-couplings, heterocycle modifications) may be explored depending on functional groups present—this is general guidance and not specific to LXQ-87.

• Practical tips for screening use

  • Prepare a master DMSO stock (e.g., 10 mM), aliquot to minimize freeze–thaw cycles, and maintain accurate plate maps.
  • Control for DMSO concentration across assays to avoid solvent artifacts.
  • Include counter-screens for assay interference (e.g., aggregation, redox cycling, optical interference) where applicable.

• Not a typical reagent

  • Without disclosed structure or functional groups, LXQ-87 should not be assumed suitable for named reactions or as a building block. Focus use on screening and characterization unless structural data are provided.

Reaction Conditions

• Not typically applicable

  • LXQ-87 is provided as a screening compound rather than a reagent for performing chemical reactions. Without structural information, no recommended reaction conditions can be provided for its transformation or use in named reactions.

• General guidance for handling in solution (not item-specific)

  • Stock preparation: 10–50 mM in anhydrous DMSO is common. Vortex and, if necessary, gently warm (≤40°C) briefly to assist dissolution; avoid prolonged heating.
  • Aqueous dilution: Add DMSO stock into vigorously mixed buffer to reach final DMSO typically ≤1–2% v/v, depending on assay tolerance.
  • Stability checks: Assess short-term stability at room temperature and 4°C in assay media by LC–MS or HPLC over the assay time window.

• If chemical modification is intended

  • Acquire the structure and consult primary literature or the CoA for any noted sensitivities (e.g., acid/base lability, redox sensitivity).

Safety and Handling

• Item-specific safety (from Product Data)

  • GHS Classification: Not specified for this item; refer to SDS.
  • Signal word / H-statements / Pictograms: Not specified for this item; refer to SDS.

• General laboratory precautions (not item-specific; defer to SDS for authoritative guidance)

  • Handle in a chemical fume hood. Avoid inhalation of dust/aerosols and contact with skin/eyes.
  • Recommended PPE: lab coat, safety glasses, and appropriate chemical-resistant gloves (nitrile as a default). For weighed powders, consider a particulate respirator if dusting cannot be controlled (per institutional policies).
  • Storage incompatibilities: Keep away from strong oxidizers, strong acids/bases until compatibility is confirmed from SDS. Segregate from foodstuffs. Ensure secondary containment at −20°C to prevent cross-contamination due to vial breakage.
  • First-aid overview: In case of skin contact, wash with soap and water. Eye exposure, rinse cautiously with water for several minutes and seek medical attention. If inhaled, move to fresh air; if ingested, rinse mouth and seek medical advice. Provide SDS to responders.
  • Spill response: For small quantities, contain with inert absorbent, avoid dust generation, and collect for disposal as hazardous chemical waste. For solids, gently dampen to minimize dust.
  • Waste disposal: Dispose according to local regulations for organic research chemicals; do not discharge to drains.

• Notes on unknown hazard profiles

  • In absence of hazard classification, treat as potentially harmful. Minimize exposure and avoid aerosolization. Always consult the item-specific SDS supplied with the shipment.

Solvent Selection

• Item-specific (from Product Data)

  • No solvent preferences or solubility data are provided for LXQ-87. Refer to CoA/Spec Sheet.

• General guidance for small-molecule screening compounds (not item-specific)

  • Primary stock solvent: Anhydrous DMSO is the default for discovery compounds due to broad solvating power and assay compatibility at ≤1–2% v/v.
  • Secondary solvents: DMF, NMP, ethanol, methanol, or 1,2-propanediol when DMSO alone is insufficient. For bases/acids, consider adjusting pH after dilution into buffer, not in the neat stock, to avoid degradation.
  • Aqueous work: Prepare concentrated DMSO stocks (e.g., 10–50 mM), then dilute into assay buffer with vigorous mixing to avoid local supersaturation. Maintain consistent final DMSO across controls and test wells.

• Practical selection matrix (general)

  • If lipophilic/neutral: DMSO or DMF stocks; add non-ionic surfactant (0.01–0.05% Tween-20) in assay buffer if precipitation persists and assay tolerates surfactant.
  • If basic (unknown here): Acidic aqueous media (pH 3–6) can increase solubility after DMSO predilution; monitor for salt formation.
  • If acidic (unknown here): Basic aqueous media (pH 8–10) may aid dissolution after DMSO predilution; watch for hydrolysis.

• Comparison snapshot (general, not item-specific)

  • DMSO: very high solvency; high boiling point; commonly tolerated in bioassays; hygroscopic.
  • DMF: strong solvent; more toxic; good for chemical manipulations, less preferred in bioassays.
  • Ethanol: greener; limited for highly lipophilic compounds; often acceptable up to ~1% v/v in assays.

• Always verify solvent compatibility with your specific assay and materials (plastics, seals).

Storage and Reconstitution

• Item-specific (from Product Data)

  • Storage conditions: Store at −20°C.
  • Shipped in: Ice chest + ice pads.

• General handling guidance (not item-specific)

  • Upon receipt: Allow the sealed container to equilibrate to room temperature in a desiccator before opening to avoid condensation on a cold solid.
  • Solid materials: If supplied as a solid, store desiccated at −20°C. If supplied in solution (e.g., DMSO), keep tightly sealed, protected from light and moisture, and return to −20°C after use.
  • Reconstitution
    • Solvent choice: Start with anhydrous DMSO for stock preparation unless the CoA indicates a preferred solvent.
    • Typical stock concentration: 10–50 mM, limited by solubility. Record exact concentration and solvent lot.
    • Mixing: Vortex and, if needed, sonicate briefly. Avoid strong heating; do not exceed ~40°C without stability data.
  • Aliquoting and freeze–thaw
    • Prepare single-use aliquots to minimize freeze–thaw cycles.
    • For DMSO stocks, avoid frost exposure; purge headspace with inert gas if prolonged storage is anticipated to reduce moisture uptake and oxidation where relevant.
  • Stability checks
    • Periodically verify integrity by LC–MS/HPLC, especially after 6–12 months at −20°C or after multiple thaws.

• Documentation

  • Label vials with SKU, compound name (LXQ-87), lot, concentration/solvent, and preparation date. Retain the CoA/Spec Sheet and SDS with the stored material.

Structure and Identity

Brief description: LXQ-87 (SKU L1439133) is listed as a small-molecule screening compound; detailed structural identifiers are not disclosed here.

• Item-specific (from Product Data)

  • SKU: L1439133
  • Product Name: LXQ-87
  • CAS: 2524718-73-6
  • Storage: Store at −20°C (see “Storage & Reconstitution” tab)
  • Shipping: Ice chest + ice pads
  • Research Use: For research use only
  • 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.

• General chemistry notes (context, not item-specific)

  • Without a disclosed structure, functional groups, ring systems, stereochemistry, and 2D/3D features cannot be detailed. Many screening compounds are heteroaromatic or polycyclic scaffolds with drug-like properties (Rule-of-5 compatible), but this is not assumed for this item.
  • If structural data are needed for computational work (docking, ADME models), request the CoA/Spec Sheet or confirm with supplier.

• Practical guidance

  • If received with an accompanying SD file or structural string, verify identity via LC–MS and, if available, 1H NMR before critical studies.
  • Record the CAS (2524718-73-6) in ELNs and sample registries to maintain traceability.

Synthetic Utility

• Applicability to this item

  • Without a disclosed structure for LXQ-87, synthetic transformations, protecting-group strategies, and retrosynthetic roles cannot be detailed. This item is not presented as a general-purpose reagent or building block.

• General note (not item-specific)

  • If structural information becomes available and the compound contains common functional handles (e.g., aryl halide, carboxylic acid, amine), synthetic diversification might use standard methods such as cross-coupling, amide formation, or N-alkylation. These statements are generic and not specific to LXQ-87.

• Recommendation

  • Treat LXQ-87 primarily as a screening test article. For synthetic campaigns, obtain structural data and consider sourcing analogs or building blocks explicitly designed for medicinal chemistry.

Target Specificity

• Item-specific

  • No target, pathway, or selectivity data are provided for LXQ-87.

• General note (not item-specific)

  • Until empirical data demonstrate selective interaction with a defined biomolecule, treat LXQ-87 as non-selective/unknown. Implement assay controls to identify potential promiscuity or interference (detergent controls, redox scavengers, counterscreens).

• Documentation

  • Record any observed target engagement alongside assay conditions, concentrations, and DMSO levels to ensure reproducibility.