AZ14145845 , CAS No.A658963

CAS: A658963 Cat. No.: A658963 분자식: C₃₂H₃₅N₉O 분자량: 561.68

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

AZ14145845 is a highly selective type I1/2 dual Mer/Axl kinase inhibitor with in vivo efficacy.

Biological Activity:AZ14145845 is a highly selective type I1/2 dual Mer/Axl kinase inhibitor with in vivo efficacy.

사양

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

작업 유형

INHIBITOR

이름과 식별자

분자량

561.68

Application Protocols

Item-specific facts (from Product Data)

• No tested application protocols are provided.

General workflow suggestions (research use only)

• Stock preparation: weigh an accurately known mass into an amber vial; dissolve in anhydrous DMSO to a convenient concentration (e.g., 10–50 mM), vortex, and sonicate briefly if needed. Filter through 0.2 µm PTFE if particulates persist. These are general practices, not specifications for this item.
• Assay dilution: add small volumes of stock to assay buffer to achieve the intended final concentration while keeping DMSO ≤0.5–1% v/v unless the assay tolerates more. Mix well and visually inspect for precipitation.
• Documentation: capture lot number, exact stock concentration, solvent, date prepared, and storage history in ELN/LIMS.
• Controls: include vehicle controls, concentration-response curves (≥8 points), and orthogonal/counter-screens to address interference.

Note

• Follow the SDS and institutional SOPs. Adjust the protocol to the needs of the specific assay and compound behavior.

Biological Roles

Item-specific facts (from Product Data)

• No biological function, target class, or pathway information is provided for AZ14145845.

General guidance

• As a small-molecule library member, any biological role is unknown until determined experimentally. Treat as a chemical tool candidate pending target deconvolution and orthogonal validation.
• If activity is observed:
  • Perform counterscreens to rule out assay interference and colloidal aggregation (e.g., detergent challenge, dynamic light scattering where feasible).
  • Establish preliminary MoA hypotheses by testing across pathway-relevant biochemical panels or phenotypic profiling followed by chemoproteomics or thermal shift assays for target ID (literature approaches).
  • Evaluate basic ADME-relevant in vitro properties only for research context (e.g., microsomal stability, permeability) if tool development is intended; do not infer clinical utility.

Caveats

• No claims are made regarding endogenous occurrence, metabolism, or signaling interactions for this specific item. All uses are for research purposes only.

Buffer Applications

Not typically applicable.

• AZ14145845 is a discrete small molecule, not a buffering agent. No pKa or buffer capacity data are provided.

General lab note

• For preparing assay buffers that will receive compound stocks, choose systems with minimal compound interaction (e.g., HEPES, PBS) and confirm that the final co-solvent percentage and pH do not precipitate the compound. If the compound is ionizable (unknown here), slight pH adjustments may aid solubility but should be validated experimentally.

Green Alternatives

Context

• Without structure and solubility data, solvent and handling choices for AZ14145845 should follow general green chemistry principles while safeguarding data quality.

General greener practices (literature/principles)

• Prefer water as a diluent when feasible; minimize DMSO carryover in assays (≤0.5% v/v) to reduce solvent burden.
• When an aprotic polar solvent is needed, consider bio-derived or lower-toxicity options where compatible (e.g., propylene carbonate, Cyrene) in place of DMF/NMP; validate stability and assay compatibility first.
• For workups/purifications (if any), replace dichloromethane with ethyl acetate or methyl tert-butyl ether when practicable.
• Use microscale formats and 96/384-well plates to reduce solvent consumption during screening.

Comparison snapshot (general; not item-specific)

• DMSO vs 2-pyrrolidone/Cyrene: DMSO offers unmatched solvency and stability but is harder to dry/remove; Cyrene is biorenewable with favorable safety, yet may have compatibility limits and higher viscosity.
• Acetonitrile vs ethanol: acetonitrile is LC–MS friendly and volatile; ethanol is greener but may not dissolve hydrophobic scaffolds or may affect bioassays.

Note

• Select the green alternative only after confirming compound stability, assay signal integrity, and analytical compatibility. No specific recommendations are made for this item due to absent structure.

Pharmaceutical Uses

Not applicable for this listing.

• No pharmacopeial status, excipient role, or formulation use is provided. AZ14145845 is supplied strictly for research use only.

General research context

• Library compounds can be used in early discovery workflows (screening, SAR) to generate chemical biology hypotheses. Any discussion of therapeutic applications would be premature and is not made here.
• If formulation-like studies are conducted for in vitro testing (e.g., solubilization vehicles), document vehicle composition and final solvent percentages to ensure reproducibility and interpretability.

Physical Properties

Item-specific facts (from Product Data)

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting 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, pKa: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/practice)

• Small-molecule library members span diverse chemotypes. Absent structure, start solubility screening with dry, anhydrous DMSO, then test aqueous buffers (pH 2–9) with co-solvents (≤1–2% DMSO or ethanol) as needed.
• If crystalline, DSC or simple capillary MP can help verify identity/purity against the CoA. If amorphous/oil, rely on HPLC/LC–MS and NMR.
• Hygroscopic or polymorphic behavior cannot be assumed; visually check for clumping/liquefaction after warm-up and document observations.
• For UV assays, determine λmax and extinction coefficient empirically (scan 200–400 nm in a screening solvent) since no UV/Vis data are provided here.

Quality and Grades

Item-specific facts (from Product Data)

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

How to interpret and verify quality (general guidance)

• Library compounds are commonly supplied with analytical data such as HPLC purity, LC–MS mass confirmation, and occasionally 1H NMR. Because no grade is stated here, confirm acceptance criteria on the CoA prior to critical experiments.
• For screening applications, many labs set internal minimums (e.g., ≥90–95% by HPLC and correct mass by LC–MS). These are typical expectations in the literature, not specifications for this item.
• If UV-based assays are planned, low non-volatile residue and acceptable UV background are desirable; check CoA chromatograms for extraneous peaks.
• If salts vs free base/acid forms affect solubility and assay conditions, the exact counterion and hydration/solvation state should be verified on the CoA.
• Re-test on receipt when necessary: spot-check purity by LC–MS, and document lot, date, and storage history to maintain data integrity for SAR.
• Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet. If none are listed, assume neat compound only.

Reaction and Applications

Item-specific facts (from Product Data)

• Manufacturer applications: Not provided.

General research applications for library compounds

• High-throughput or fragment screening: compounds like AZ14145845 are typically used as discrete chemical matter for biochemical, cell-based, or biophysical assays to identify hits.
• Hit validation and SAR: upon observing activity, analog interrogation and orthogonal assays are used to confirm mechanism and eliminate artifacts (aggregation, redox cycling, fluorescence interference).
• Chemical biology probes: with adequate characterization, such compounds may serve as tool molecules for pathway interrogation in vitro.

Practical tips (assay-facing)

• Confirm identity/purity by LC–MS/HPLC prior to screening to reduce false positives due to impurities.
• Establish a solubility ceiling by serial dilution with visual/UV turbidity checks. Include detergent controls if aggregation is suspected (literature practice).
• Record exact stock concentration by quantitative weighing or qNMR to ensure reproducible IC50/EC50 determination.
• Control for PAINS/interference: run counter-screens for redox activity, thiol reactivity, and fluorescence overlap when relevant to the assay readout.

Note

• No synthetic or reaction-use claims are made for this specific item due to missing structural information; use is primarily as received for discovery assays unless structure is disclosed.

Reaction Conditions

Not applicable as item-specific guidance.

• No structural or functional group information is available for AZ14145845; therefore, no reliable reaction condition recommendations (solvents, bases, catalysts, temperatures) can be provided for transformations involving this compound.

General note

• If the compound is to be modified, first establish stability windows by exposing small aliquots to common conditions (acid/base, oxidative/reductive, heat, light) and monitor by LC–MS. Use these scouting results to design compatible reactions. All such work should be based on known structure; consult CoA/Spec Sheet.

Safety and Handling

Item-specific facts (from Product Data)

• GHS classification, pictograms, signal word, and H-statements: Not specified for this item; refer to SDS.
• Storage conditions: Store at −20 °C.
• Shipped in: Ice chest + ice pads.
• Research use: For research use only.

General laboratory guidance (defer to SDS as authoritative)

• Until hazards are known, handle as a potentially harmful organic compound: wear lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Work in a fume hood to avoid inhalation exposure.
• Avoid skin/eye contact and ingestion. Prevent aerosolization and dust generation.
• Incompatibilities are structure dependent; as a precaution, segregate from strong oxidizers and acids/bases until confirmed safe.
• First aid (overview; follow institutional SOPs): eye/skin rinse with water 15 min, remove contaminated clothing, seek medical evaluation if irritation persists; move to fresh air if inhaled; do not induce vomiting if ingested—seek medical attention.
• Spill response: contain with inert absorbent (vermiculite), transfer to compatible waste; ventilate area.
• Waste disposal: collect as organic chemical waste; follow local regulations.
• Unknown peroxide risk, flammability, or sensitization potential—consult the SDS provided with the lot for definitive classification and recommended controls.

Solvent Selection

Item-specific facts (from Product Data)

• No solubility profile provided.

General strategy for unknown small molecules (literature/practice)

• Primary solvent: anhydrous DMSO is the default for many screening compounds due to broad solvating power and stability at −20 °C.
• Secondary solvents: DMF, acetonitrile, ethanol, or isopropanol may be suitable. For aqueous assays, prepare concentrated DMSO stock (e.g., 10–50 mM) and dilute into buffer keeping final DMSO ≤0.5–1% v/v to minimize biological assay interference.
• Aqueous optimization: adjust pH when ionizable groups are suspected; employ co-solvents or cyclodextrins if precipitation occurs.
• Analytical compatibility: choose LC–MS friendly solvents (water/acetonitrile or water/methanol with 0.1% formic or ammonium formate/acetate) for purity checks.
• Solvent selection decision points:
  • If the solid/oil dissolves rapidly in DMSO at room temperature, proceed with DMSO stock workflow.
  • If insoluble in DMSO, test DMF or NMP cautiously, then evaluate surfactant-assisted aqueous vehicles (e.g., 0.01–0.05% Tween 80) where appropriate for biochemical assays.
  • For moisture-sensitive candidates (unknown), keep solvents anhydrous and minimize air exposure until stability is known.

Storage and Reconstitution

Item-specific facts (from Product Data)

• Storage conditions: Store at −20 °C.
• Shipping: Ice chest + ice pads.
• Appearance and solvent recommendations: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (research practice)

• Upon receipt, allow the sealed container to equilibrate to room temperature before opening to avoid moisture condensation. If provided as a solid, consider storing under inert atmosphere with desiccant to mitigate hydrolysis/hygroscopicity risks (unknown here).
• Aliquoting: prepare single-use aliquots to minimize freeze–thaw cycles. For DMSO stocks, use dry, anhydrous solvent and amber vials; store at −20 °C or below. Track aliquot age and number of freeze–thaw events.
• Reconstitution: start with dry DMSO; if aqueous use is required, dilute into buffer slowly with vigorous mixing to prevent precipitation. Verify concentration by UV (if chromophore) or qNMR/LC–MS where feasible.
• Stability checks: periodically inspect for discoloration, precipitate, or new HPLC peaks. If instability is observed, prepare fresh solutions.

Disclaimer

• In the absence of compound-specific stability data, treat all solutions as short-lived working stocks and refer to the CoA/SDS for any lot-specific instructions.

Structure and Identity

Item-specific facts (from Product Data)

• Product name: AZ14145845 (SKU: A658963)
• CAS: A658963 (catalog placeholder; not a standard CAS Registry number)
• 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.
• Category: Small molecule/compound library member (小分子和化合物库)

General notes

• Structural features, ring systems, functional groups, and stereochemistry are not provided in the current listing. Without a structure, depiction of 2D/3D features, functional group inventory, and potential tautomers cannot be established here.
• For unambiguous identification in data systems, request the CoA/Spec Sheet for exact identifiers (IUPAC name, structural formula, registry IDs) before experimental use or informatics registration.
• If used in screening, assign an internal identifier and link it to supplier SKU and lot number to maintain traceability.

Synthetic Utility

Item-specific facts (from Product Data)

• Structure and functional groups are not disclosed; synthetic reactivity and transformation scope cannot be specified for this item.

General considerations (if structure becomes available)

• Functional-group-guided transformations (oxidation/reduction, cross-coupling, amide bond formation, heterocycle elaboration) depend critically on the underlying scaffold, substituent electronics, and protection strategy.
• For library follow-up, common derivatizations include: halogen → cross-coupling (Suzuki, Buchwald–Hartwig), carboxylic acid/amine → amide coupling, nitrile/aldehyde → reductive amination or hydrolysis, phenols/anilines → sulfonylation/carbamate formation. These are illustrative literature avenues, not claims for this specific compound.

Recommendation

• Obtain the exact structure and any protecting/stabilizing groups from the CoA/Spec Sheet before planning synthetic modifications or analog synthesis.

Target Specificity

Not applicable for this listing.

• No biological target, selectivity profile, or binding data are provided for AZ14145845. It should be treated as an uncharacterized screening compound until target engagement is determined experimentally.