AZ3391 - ≥98% , CAS No.2756333-42-1

CAS: 2756333-42-1 Cat. No.: A648389 Formula: C₂₃H₂₇FN₆O₂ Molecular Weight: 438.50

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

AZ3391 is a potent inhibitor of PARP. AZ3391 is a quinoxaline derivative. PARP family of enzymes play an important role in a number of cellular processes, such as replication, recombination, chromatin remodeling, and DNA damage repair. AZ3391 has the potential for the research of diseases and conditions occurring in tissues in the central nervous system, such as the brain and spinal cord (extracted from patent WO2021260092A1, compound 23).

Form:Solid

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

AZ3391 is a potent inhibitor of PARP . AZ3391 is a quinoxaline derivative. PARP family of enzymes play an important role in a number of cellular processes, such as replication, recombination, chromatin remodeling, and DNA damage repair. AZ3391 has the pot

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Molecular Weight: 438.50

Application Protocols

Item-specific validated applications and protocols: Not specified for this item; refer to CoA/Spec Sheet.

General best practices for small-molecule test articles (not item-specific):

• Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM. Vortex and, if needed, brief sonication. Record exact mass and final volume to enable gravimetric concentration determination.
• Aliquoting: Dispense single-use aliquots (e.g., 10–50 µL) into low-bind tubes; store at −20 °C. Avoid repeated freeze–thaw cycles.
• Working solutions: Dilute into assay buffer immediately before use to desired concentrations with final DMSO ≤0.1–1% v/v.
• Quality control: Verify purity and identity of each new lot by UPLC–MS; optionally, re-check after 1–3 months of storage to confirm stability.
• Documentation: Record lot number, preparation date, solvent, and calculated concentration in ELN/LIMS. Attach chromatograms and MS spectra.

If specific, validated protocols become available for AZ3391 (e.g., assay conditions, control concentrations), follow those documents preferentially.

Biological Roles

Item-specific biological/biochemical role: Not specified for this item; refer to CoA/Spec Sheet or accompanying disclosures. No target, pathway, or MOA has been provided in the Product Data.

General considerations for screening compounds (not item-specific and not implying activity):

• A compound with unknown target may be profiled across biochemical and cell-based panels to uncover potential interactions (enzyme inhibition, receptor modulation, pathway perturbation). Any observed effects must be validated with orthogonal assays and counter-screens to exclude assay interference (fluorescence, redox cycling, aggregation).
• Early ADME flags to evaluate include solubility, permeability (PAMPA/MDCK), microsomal stability, and potential CYP inhibition. These data help contextualize apparent potency and guide follow-up chemistry.
• Off-target risk assessment can employ broad panel screening (e.g., safety pharmacology panels) if the compound advances within discovery programs.

Important: This product is supplied strictly for research use only. No claims are made or implied regarding therapeutic utility, diagnosis, or clinical application.

Buffer Applications

This product is not a buffer or buffering reagent. No buffering capacity, pKa, or formulation role has been provided.

• Item-specific buffer-related data: Not specified for this item; refer to CoA/Spec Sheet.

Practical note (general):

• When preparing assay solutions of small molecules, select a buffer system suitable for the biology (e.g., HEPES, PBS, Tris) and compatible with the compound’s stability. Maintain final DMSO at the lowest feasible level (commonly ≤0.1–1% v/v). Adjust pH only within ranges that do not induce compound degradation or precipitation.

Green Alternatives

Because AZ3391 is supplied as a screening compound (end-use analyte) rather than a process solvent or bulk reagent, conventional “green alternative” substitution is typically not applicable to the compound itself. However, greener choices can be implemented in its handling and analysis.

Greener practice opportunities (general, not item-specific):

• Stock solutions: Prefer aqueous buffers when solubility permits; otherwise, minimize DMSO final assay concentrations to ≤0.1%.
• Chromatography: Use shorter columns and water-rich gradients to reduce acetonitrile consumption; consider ethanol or methanol when compatible with detection and solubility.
• Workflows: Adopt miniaturized assay formats (384/1536-well) to reduce solvent and consumables usage.
• Waste: Segregate halogenated from non-halogenated organic waste; neutralize acidic/basic wastes before disposal where allowed.

Illustrative comparison (general):

• Conventional: DMSO stocks at 50 mM, ACN-heavy UPLC gradients.
• Greener tilt: Lowest workable stock concentration, water-rich mobile phases with ethanol or methanol substitution, reduced injection volumes, and column temperature optimization to improve efficiency.

Trade-offs:

• Lower organic content may reduce peak capacity; ensure resolution is adequate for purity assessment.
• Alternative solvents can shift retention and ionization; re-validate LC–MS conditions.

Pharmaceutical Uses

Item-specific pharmacopeial/excipient status and formulation roles: Not specified for this item; refer to CoA/Spec Sheet. No pharmacopoeial monograph or excipient designation is provided.

General discovery-stage context (not item-specific; no therapeutic claims):

• Code-named screening compounds are often employed as tool molecules in preclinical research. Formulation at this stage focuses on enabling in vitro/in vivo experiments (e.g., DMSO/PEG400/saline vehicles) rather than commercial dosage forms.
• If the compound progresses, developability assessments typically include salt screening, solid-state form evaluation, and preliminary stability indicating methods. None of these are specified for this catalog item.

Compliance reminder:

• For research use only. Not for human or veterinary use, diagnostic procedures, or clinical applications.

Physical Properties

Item-specific properties (from Product Data):

• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Appearance (solid/liquid, color): 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, pKa, solubility: Not specified for this item; refer to CoA/Spec Sheet.

General laboratory considerations (literature/practice – not item-specific):

• Screening compounds are commonly supplied as dry solids or DMSO stocks. If received as a solid, initial dissolution trials typically start with anhydrous DMSO (up to 10–50 mM), followed by dilution into assay buffers containing 0.1–1% DMSO.
• If ionizable functionality is suspected, solubility can often be improved by adjusting pH: weak bases dissolve better in mildly acidic aqueous media; weak acids in mildly basic media. Employ co-solvents (DMSO, DMF, MeCN) as needed.
• For analytical method setup without structure, orthogonal LC methods are recommended: reversed-phase C18 (water/acetonitrile with 0.1% formic acid or ammonium formate) and, if necessary, HILIC for polar analytes.
• Hygroscopicity and polymorphism may affect handling and solubility; confirm mass by qNMR or assay by LC–UV/MS to establish stock concentration when extinction coefficients are unknown.

Quality & Grades

Item-specific quality details:

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

Interpretation and best practices (general, not item-specific):

• Screening library compounds are commonly provided at synthetic or analytical purity suitable for in vitro discovery work (often ≥95% by HPLC/UPLC-UV), but the definitive acceptance criteria are those on the CoA. Verify assay, chromatographic purity trace, and residual solvent profile prior to critical experiments.
• If a stabilizer is present (e.g., acid additive for basic amines), it will be declared on the CoA. Stabilizers can influence pH and chromatographic behavior—account for them in analytical methods and bioassays.
• For LC–MS confirmation, collect both UV and MS data. Where UV cutoff/absorbance background matters (e.g., HPLC-grade solvents), ensure your mobile phase and diluents are compatible; for the compound itself, extinction coefficients are typically not provided—use qNMR or calibration curves for concentration verification.
• Batch-to-batch consistency: Record lot numbers and retain reference aliquots for cross-study comparability. If you conduct SAR or profiling, include the measured purity and form (free base vs. salt) in your ELN entry.

Reaction & Applications

This item is positioned as a small-molecule screening/compound-library member rather than a synthetic reagent.

Item-specific application notes:

• Manufacturer Applications (verbatim): Not specified in Product Data.

General research applications (not item-specific):

• Use as a test article in high-throughput screening (HTS), hit validation, dose–response curve generation, and mechanism-of-action studies where permitted.
• Serve as a tool compound for phenotypic assays, chemoproteomics, or biophysical binding methods (e.g., DSF, MST, SPR) once identity and purity are confirmed.
• Reference material for analytical method development: retention time indexing, LC–MS tuning, stability-indicating assays under stress conditions (light, heat, pH).

Practical guidance:

• Verify identity and purity by UPLC–MS before biological use; confirm stock concentration by qNMR or external-standard LC–UV where extinction coefficients are unknown.
• Establish solubility and aggregation risk: employ detergent-free dynamic light scattering or use low nonionic surfactant (e.g., 0.01% Tween-20) in biochemical assays if aggregation is suspected.
• Track freeze–thaw cycles and employ single-use aliquots to avoid potency drift from degradation or adsorption to plastics.

Note: If the compound is intended for chemistry optimization (SAR), obtain structural disclosure to guide analog selection and physicochemical fine-tuning.

Reaction Conditions

Not typically applicable. AZ3391 is supplied as a finished small molecule for research testing rather than as a reagent used to run chemical reactions.

Item-specific conditions: Not specified for this item; refer to CoA/Spec Sheet.

General guidance relevant to handling solutions (not item-specific):

• Stability studies: To establish handling limits, subject a small aliquot to temperature/light/pH stress and monitor by UPLC–MS. This informs allowable assay incubation temperatures and storage conditions.
• Container compatibility: Assess adsorption to plastics at low concentrations; glass vials or low-bind plastics can reduce losses.
• Light sensitivity: If chromophores are suspected, protect from light (amber vials) during prolonged assays or storage.

For any chemical reaction use, secure structural data and compatibility information first.

Safety & Handling

Item-specific hazard information (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.

Known storage and shipping (item-specific):

• Storage: Store at −20 °C.
• Shipping: Ice chest + ice pads.

General safety guidance for research chemicals (not item-specific; always defer to SDS):

• PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Handle powders in a fume hood to avoid inhalation of dust/aerosols.
• Avoid skin/eye contact and inhalation. Prevent ingestion. Wash thoroughly after handling.
• Incompatibilities: Until structure is confirmed, keep away from strong oxidizers/reductants, strong acids/bases, and reactive metals. Avoid elevated temperatures and direct light to minimize degradation.
• First aid (overview): Inhalation—move to fresh air; Skin—wash with soap/water; Eyes—rinse with water for several minutes; Ingestion—rinse mouth. Seek medical attention in all cases and provide SDS.
• Spill/accidental release: Avoid dust formation; collect with inert absorbent; dispose of per institutional protocols. For solutions in DMSO/organic solvents, control ignition sources.
• Waste: Dispose as organic laboratory chemical waste in accordance with local regulations.
• Note: If the compound contains latent hazards (e.g., azides, nitroso groups), SDS will specify additional controls—consult the latest document before first use.

Solvent Selection

Item-specific solvent data:

• Solubility profile: Not specified for this item; refer to CoA/Spec Sheet.

General selection strategy for small-molecule screening compounds (not item-specific):

• Primary solvent: DMSO is the default for preparing concentrated stocks (10–50 mM) due to broad solubilizing power and compatibility with most biochemical assays at ≤1% v/v.
• Secondary options: DMF and NMP offer similar solvating ability but may have higher cytotoxicity—use sparingly in biological assays. MeCN or MeOH can help co-solubilize less lipophilic compounds.
• Aqueous systems: If the compound is ionizable, prepare aqueous buffers at appropriate pH after making a DMSO pre-stock (e.g., 10 mM in DMSO, then dilute 1:1000 into buffer to 10 µM with 0.1% DMSO final).
• Practical tips:
  • Assess solubility empirically by incremental dilution with visual inspection and light scattering if available.
  • Warm gently (room temp to 37 °C) and sonicate short periods to aid dissolution; avoid prolonged heating.
  • Filter through 0.22 µm PTFE/nylon if particulate persists (confirm no adsorption losses).

Concise comparison (general):

• DMSO: maximal solubility, assay-compatible at low %, hygroscopic.
• MeCN: volatile, LC–MS friendly, moderate solubility.
• MeOH/EtOH: protic, may interfere with some enzymes/receptors.
• Buffer only: lowest background for biology, limited solubility unless ionized.

Storage & Reconstitution

Item-specific conditions (from Product Data):

• Storage: Store at −20 °C.
• Shipped: In an ice chest with ice pads to maintain cold chain.

Item-specific details not provided:

• Physical state/appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Recommended reconstitution solvent and concentration: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for small molecules (not item-specific):

• Upon receipt: Allow container to reach room temperature in a desiccator before opening to prevent moisture condensation. If provided as a solid, promptly prepare DMSO stock (e.g., 10–50 mM) based on accurate weighing.
• Aliquoting: Prepare single-use aliquots in airtight, low-bind vials. Flush headspace with inert gas if the compound is air/moisture sensitive (check CoA/SDS).
• Storage of solutions: Store DMSO stocks at −20 °C, protected from light. Typical stability is months to a year if frozen and moisture-protected; confirm empirically by periodic UPLC–MS.
• Freeze–thaw: Avoid repeated cycles. Thaw rapidly at room temperature, mix gently, use immediately, and discard any unused thawed portion.
• Aqueous working solutions: Prepare fresh immediately before use. Filter if necessary through 0.22 µm to remove particulates, verifying no loss by adsorption.

Always consult the latest CoA and SDS for definitive handling and stability information for AZ3391.

Structure & Identity

This listing corresponds to a cataloged small-molecule screening compound designated AZ3391 (SKU A648389).

• Item-specific identifiers (from Product Data):
  • CAS: 2756333-42-1
  • Product Code/Name: AZ3391
  • Category: Small molecules and compound libraries (screening collection)
• Structure-related fields (item-specific):
  • 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/functional groups: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (context, not item-specific):

• For anonymous or code-named screening compounds, structural disclosure may be limited. If your workflow requires exact structure (computational docking, LC–MS method development, derivatization), request the current CoA/Spec Sheet or an SD file if available under your agreement.
• If provided later, record canonical SMILES/InChI alongside internal ELN identifiers to streamline analytical and method development traceability.
• Typical 2D features you may want to document once known include: heteroaromatic cores, polar handles (e.g., amide, sulfone), halogen substituents, ionizable centers, and any chiral elements that could impact binding or ADME profiling.

Synthetic Utility

This catalog item is intended as a screening compound (end-use analyte), not as a synthetic building block or reagent.

Item-specific reactivity/functional group information: Not specified for this item; refer to CoA/Spec Sheet.

General notes (not item-specific):

• Without structural disclosure, this compound should not be assumed suitable for further chemical transformation. If derivatization or bioconjugation is contemplated (e.g., for probe synthesis), obtain structural information and confirm functional handles (amines, carboxylates, halides) and stability under planned reaction conditions.
• For analytical derivatization (e.g., to enhance LC–MS detection), validate that modifications do not alter the study’s objectives or confound interpretation.

Conclusion: Treat AZ3391 primarily as a test article for assays rather than a reagent for synthetic methodologies unless and until structural data confirm compatible functionality.

Target Specificity

Item-specific target, epitope, or specificity data: Not specified for this item; refer to CoA/Spec Sheet. No protein target, gene, pathway, or selectivity panel results are provided in the Product Data.

General note (not item-specific):

• If AZ3391 is to be profiled as a tool compound, establish target engagement with orthogonal methods (biochemical assay plus biophysical confirmation such as SPR, ITC, or CETSA/DSF). Determine preliminary selectivity across close homologs or representative counter-targets to contextualize observed activity.