XZ426 - Moligand™, 10 mM in DMSO , CAS No.1638504-52-5

CAS: 1638504-52-5 Cat. No.: X1494197 Summenformel: C₂₂H₂₄F₂N₄O₄ Molekulargewicht: 446.45

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

XZ426 is a potent integrase strand transfer inhibitor with anti- HIV activity.

Specifications

Spezifikationen & Reinheit

Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Namen und Kennungen

Molekulargewicht

446.45

Application Protocols

No tested applications or vendor-recommended protocols are provided for XZ426 in the Product Data.

• Not specified for this item
  • Assay formats, concentrations, incubation times, or detection settings.

Guidance

• Follow your internal SOPs for handling small-molecule screening libraries. Incorporate appropriate controls (vehicle, negative/positive controls) and counter-screens to identify assay interference.
• For documentation and reproducibility, capture lot number, stock concentration, solvent composition, and plate maps with each experiment.

Biological Roles

No structural or target information is provided for XZ426. Therefore, no biological function, pathway association, or mechanism can be assigned from the Product Data.

General context (not item-specific claims)

• Moligand™ compounds are typically evaluated as potential ligands in discovery workflows. Any biological role (e.g., enzyme modulator, receptor binder) must be established experimentally and documented per assay.
• Prior to biological testing, assess purity, solubility, and potential assay interferences (intrinsic fluorescence, redox activity, aggregation). Implement appropriate controls (vehicle, negative/positive controls where applicable) and orthogonal assays to confirm true target engagement.

Note: This product is for research use only. It is not intended for food, drug, household, or cosmetic use.

Buffer Applications

This product is a small-molecule screening compound and is not a buffering agent. No buffer system roles are indicated in the Product Data.

• Guidance
  • Prepare assay buffers per your established SOPs; introduce XZ426 from a concentrated stock (e.g., in DMSO) to a low final vehicle percentage compatible with the assay.
  • Verify that addition of the vehicle does not alter buffer pH, ionic strength, or assay readout.

Item-specific buffer-related properties (pKa, buffering range, salt forms) are not specified for this item; refer to the CoA/Spec Sheet if available.

Green Alternatives

Without item-specific solubility data, solvent choice for stock preparation and dilutions should balance performance with environmental, health, and safety (EHS) profiles. Below is general, literature-based guidance (not item-specific):

Comparison of common media for small-molecule stocks (general)

• DMSO
  • Pros: Broad solvency; widely assay-compatible at low %; well-characterized.
  • Cons: High boiling point; worker exposure concerns; not inherently “green.”
• Cyrene (dihydrolevoglucosenone)
  • Pros: Bio-based, lower toxicity profile vs NMP/DMF; good solvency for many aromatics.
  • Cons: Limited aqueous miscibility; stability considerations with strong nucleophiles/bases.
• GVL (γ-valerolactone)
  • Pros: Bio-derived, relatively benign; good polarity.
  • Cons: Hydrolyzable; limited miscibility with water without co-solvent.
• 2-MeTHF
  • Pros: Renewable; good for hydrophobic compounds.
  • Cons: Limited water miscibility; peroxide formation on storage; often needs co-solvent for assays.
• PEG-400 (as co-solvent)
  • Pros: Low volatility, benign profile.
  • Cons: Viscous; can interfere in some readouts; may limit high-throughput pipetting.

Practical approach

• Begin with DMSO for screening practicality; if EHS drivers or assay constraints apply, evaluate Cyrene or GVL as alternatives for intermediate concentrates, then dilute into aqueous buffers. Validate assay performance, background signal, and compound stability in the chosen medium.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing use is provided for XZ426. This product is supplied strictly for research use.

• Not specified for this item
  • Any GMP status, residual solvent limits, elemental impurity controls, or compendial monographs.

General note (not item-specific)

• Small-molecule screening compounds may support discovery-stage medicinal chemistry and assay development; they are not intended for clinical, diagnostic, or therapeutic applications. Do not use in human or veterinary products.
• If data are later required for pre-formulation research (e.g., solubility, polymorph, stability), obtain the full structural identity and lot-specific analytical data from the CoA/Spec Sheet and conduct fit-for-purpose characterization.

Physical Properties

Item-specific physicochemical data are not provided in the Product Data. Do not assume values for experimental design; verify with the CoA/Spec Sheet for the exact lot.

• Appearance (state/color): Not specified for this item; refer to CoA/Spec Sheet.
• Melting point / freezing point: Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point: Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• pKa(s): Not specified for this item; refer to CoA/Spec Sheet.
• UV/Vis characteristics (e.g., cutoff, λmax): Not specified for this item; refer to CoA/Spec Sheet.
• Hygroscopicity: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/experience-based, not item-specific)

• For small-molecule screening compounds, initial solubility screening typically starts with anhydrous DMSO (e.g., 1–50 mM stock), followed as needed by co-solvent systems (DMSO/water, DMSO/MeOH, or DMSO/acetonitrile). Confirm chemical compatibility before use.
• If the compound is light- or air-sensitive (unknown here), minimize exposure (amber vials, inert atmosphere).

Quality and Grades

• Supplied Grade: Moligand™ (as listed). While item-specific specifications are not provided in the Product Data, Moligand™ typically denotes compounds curated for molecular recognition/ligand discovery workflows (e.g., screening, hit validation) where batch identity and integrity are prioritized.

What this generally implies (contextual information; not an item-specific spec)

• Identity assurance: Each lot should be identity-confirmed (e.g., by NMR/MS/HPLC) suitable for research screening. Request CoA for the exact panel of tests.
• Purity: Not specified for this item; refer to CoA/Spec Sheet. Screening collections often target high purity to minimize assay artifacts, but do not assume a value.
• Counter-ions/solvates: Not specified for this item; refer to CoA/Spec Sheet. These can affect solubility and assay readouts.
• Residual solvents/water/metals/UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.

Practical notes

• For HTS/fragment/ligand campaigns, verify purity and stability upon receipt (rapid HPLC/LC–MS check where possible), especially before critical SAR or biophysical assays.
• If using in optical assays, obtain UV/Vis profile and fluorescence background to evaluate interference. Absent data here, run a quick blank/control scan.
• Document lot numbers in screening databases to maintain traceability across assays and re-orders.

Reaction and Applications

This product is positioned as a Moligand™ small-molecule screening compound for research use. No synthetic or application notes are provided in the Product Data.

• Typical research applications (general, not item-specific)
  • Biochemical/biophysical screening (e.g., binding assays, thermal shift, SPR, NMR-based fragment screening) where compounds are tested as potential ligands. The actual target space for XZ426 is not provided.
  • Phenotypic or cell-based assays to probe pathways; confirm permeability and cytotoxicity empirically. Avoid assumptions without structural data.
• Not typically used as a solvent or bulk reagent in named organic reactions due to its role as a library member; any synthetic use would require knowledge of structure and functional groups (not provided).

Practical tips for assay deployment (generic)

• Prepare fresh DMSO stocks at appropriate concentration, confirm solubility (absence of precipitate after dilution to assay buffer), and include vehicle controls.
• Assess intrinsic fluorescence/absorbance to anticipate assay interference; include counter-screens for aggregator or redox activity if relevant.

Note: No claims regarding biological activity, potency, or mechanism are made here. For item-specific application data, consult the CoA/Spec Sheet or internal screening records.

Reaction Conditions

No reaction conditions are provided for XZ426, and without structural information, meaningful synthetic parameters cannot be specified.

• Not specified for this item
  • Solvent, temperature, catalysts, equivalents, or expected yields relevant to transformations.

General best practices (if later used in synthesis, contingent on known structure)

• Start with small-scale feasibility screens to map stability versus acid/base, redox, and heat. Use analytical TLC/LC–MS to monitor.
• For air/moisture-sensitive motifs, employ inert atmosphere and anhydrous solvents; for photosensitive motifs, use amberware and reduced light.
• When scaling, conduct calorimetry/rate studies if exotherms are possible; maintain appropriate controls and quench procedures.

Given its role as a library member, the more relevant sections for most users are Solvent Selection and Storage & Reconstitution.

Safety and Handling

Authoritative safety information must be taken from the product SDS. The Product Data do not include GHS classifications for XZ426.

• GHS/CLP
  • Signal word: Not specified; consult SDS.
  • Hazard statements (H-codes): Not specified; consult SDS.
  • Pictograms: Not specified; consult SDS.

General laboratory precautions (best practice; not item-specific)

• Handle as a potentially hazardous small organic molecule. Work in a certified chemical fume hood or well-ventilated area.
• PPE: lab coat, safety glasses or splash goggles, and appropriate chemically resistant gloves (typically nitrile); upgrade PPE per SDS risk language.
• Avoid inhalation of dust/aerosols and contact with skin/eyes. Prevent ingestion.
• Storage incompatibilities: Not specified for this item. Until identity is confirmed, segregate from strong oxidizers, strong acids/bases, and ignition sources. Use sealed, chemically compatible containers.
• First aid (overview; defer to SDS): in case of skin/eye contact, rinse with water for at least 15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If ingested, seek medical attention. Provide SDS to responders.
• Spill response: Absorb small spills with inert material (e.g., vermiculite), collect for disposal. Avoid dust formation and environmental release.
• Waste: Dispose according to institutional and local regulations; treat as organic chemical waste unless SDS specifies otherwise.

Note: No peroxide-forming or explosive risk statements are made here due to absent structural information; consult SDS/CoA for item-specific hazards.

Solvent Selection

Item-specific solubility/polarity are not provided. The following decision framework is general guidance for preparing small-molecule stocks (not item-specific specifications):

• Primary solvent for screening stocks
  • DMSO (anhydrous) is the default for many small molecules due to broad solvency and assay compatibility at low final % (often ≤1%). Confirm your assay tolerance.
• Solubility escalation strategy (progress from polar aprotic to mixed systems)
  1. DMSO → 2) DMSO:MeOH (1:1) or DMSO:ACN (1:1) → 3) DMSO:H2O with co-solvent (e.g., 10–30% DMSO) → 4) Alternative green solvents (see Green Alternatives).
• Acid/base modifiers
  • For ionizable compounds, minimal amounts of volatile acid/base (e.g., formic acid, triethylamine) in organic media can improve dissolution; verify assay compatibility.
• Miscibility and compatibility
  • DMSO is miscible with water and many organics; minimize water uptake by using dry atmosphere to avoid hydrolysis for moisture-sensitive compounds (unknown here).
• Filtration
  • If particulates are observed, filter stock solutions through PTFE (organics) or PES/nylon (aqueous-organic) syringe filters. Confirm no analyte loss to the membrane.

Always confirm chemical compatibility and stability by a small-scale test (visual inspection, analytical check) before committing to large assay plates.

Storage and Reconstitution

Item-specific instructions from Product Data

• Storage Conditions: Store at -80°C.
• Shipping: Shipped on dry ice packs + cold packs.

Additional details

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Reconstitution solvent and concentration: Not specified for this item; refer to CoA/Spec Sheet.

Best practices (general guidance; not item-specific specifications)

• Upon receipt: Keep the container closed and cold. Allow the package to equilibrate to -20°C or 4°C before opening to minimize condensation ingress; then transfer swiftly to -80°C.
• Aliquoting: If provided as a solid, aliquot under dry conditions. If provided as a solution, create single-use aliquots to avoid repeated freeze–thaw. Record concentrations and solvent composition on each aliquot.
• Stock preparation: For many screening compounds, anhydrous DMSO stocks (e.g., 1–50 mM) are common; verify solubility and stability for this item before setting concentrations.
• Handling: Minimize exposure to moisture, heat, and light until structural sensitivities are known. Use amber vials if photolability is suspected and inert atmosphere if hydrolysis/oxidation risk is possible.
• Stability: Not specified for this item; refer to CoA/Spec Sheet. If long-term storage is planned, periodic analytical checks (e.g., LC–MS) are recommended.

Research use only: Not for human or veterinary use.

Structure and Identity

Brief overview: XZ426 (SKU X1494197) is listed as a Moligand™ small-molecule screening compound. The specific chemical identity is not disclosed in the provided Product Data.

• CAS Registry Number: 1638504-52-5
• Product Name: XZ426 (catalog placeholder name)
• SKU: X1494197
• 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.
• Stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.
• Structural features (rings, heteroatoms, functional groups): Not specified for this item; refer to CoA/Spec Sheet.

2D/structural description

• No structural diagram or line notation is supplied in the current listing. If structure is required for computational work or SAR review, request the CoA/Spec Sheet or consult internal databases keyed by CAS 1638504-52-5 (confirm lot identity before use).

Synthetic Utility

The Product Data do not provide a structure or functional group information for XZ426; therefore, no reliable statement can be made about its reactivity or use as a synthetic building block.

• Not specified for this item
  • Functional groups, protecting group compatibility, or roles in named reactions.

General guidance (when structure becomes available)

• Assess functional handles (e.g., aryl halides for cross-coupling, carbonyls for condensations/reductions, amines/acids for amide couplings) and stability under typical conditions (acid/base, redox, thermal, photolytic).
• If derivatization is planned (e.g., to prepare probes or analogs), confirm purity and identity by orthogonal methods (LC–MS, NMR, HRMS) and document lot-to-lot consistency.

In its listed context (Moligand™ screening compound), XZ426 is primarily intended for biochemical/phenotypic testing rather than as a reagent for synthesis.

Target Specificity

No target, pathway, or protein binding data are provided for XZ426.

• Not specified for this item
  • Primary target, species reactivity, selectivity profile, or mechanism of action.

Note: Any target specificity must be established experimentally in your laboratory or sourced from validated screening data. Record lot numbers and assay conditions with results to ensure traceability.