GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.≥98%
Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Panoramica
AZ-10417808 is a selective caspase-3 inhibitor. AZ-10417808 blocks apoptosis signaling pathway by inhibiting caspase-3 activity. AZ-10417808 can be used to study the effect of nicotine on plasmacytoid dendritic cell migration.
This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare
434.200 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
433.034 Da
Monoisotopic Mass
433.034 Da
Topological Polar Surface Area
128.000 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
713.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Calcolatori di soluzioni
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Recensioni
Recensioni dei clienti
Application Protocols
No vendor-validated assay protocols are listed for this item. The following general procedures are commonly used for small-molecule test articles.
Stock preparation:
Dissolve compound in anhydrous DMSO to 10–20 mM. Sonicate or warm gently (≤40 °C) if needed.
Aliquot into low-bind tubes; store at −20 °C or below. Minimize freeze–thaw.
Serial dilutions:
Prepare half-log or 3-fold DMSO dilutions for potency curves.
Back-dilute into assay buffer to reach final DMSO of 0.1–1% v/v (validate tolerance).
Biochemical assays:
Include vehicle controls and, where available, reference ligands. Incubate per target kinetics; quantify by activity or binding readouts (e.g., fluorescence, luminescence, MS).
Cell-based assays:
Confirm media compatibility; pre-test precipitation. Dose over a concentration range with sufficient replicates (n ≥ 3) and time points; monitor cytotoxicity separately from target readouts.
Data integrity:
Verify compound identity and purity for the working lot (LC–MS, HPLC). Track lot numbers and preparation details in ELN/LIMS.
Note: Adjust conditions to your target system and follow institutional SOPs.
Biological Roles
Item-specific biological targets or endogenous roles are not provided in the Product Data.
General considerations for small-molecule ligands in research:
Such compounds typically serve as exogenous modulators of biomacromolecules (proteins, nucleic acids, membranes) to interrogate pathways and mechanisms.
Lacking a disclosed mechanism or target, experiments should be designed to establish on-target activity, selectivity, and off-target liability using orthogonal approaches (e.g., counterscreens, CRISPR knockouts/knockdowns, CETSA, proteomics pull-downs of immobilized analogs).
Establish biophysical binding (SPR, ITC, DSF) and cellular target engagement where appropriate before drawing mechanistic conclusions.
Important note:
No medical or clinical claims apply. This product is designated For research use only and should be used solely in laboratory investigations.
Buffer Applications
This item is a small-molecule ligand candidate and is not itself a buffering agent. However, practical considerations apply when using it in buffered assays.
Stock solutions: Prepare in DMSO (e.g., 10–20 mM). Store aliquots at −20 °C to minimize freeze–thaw.
Assay buffers: Dilute stocks into appropriate buffers (e.g., PBS, HEPES, Tris, or assay-specific media) maintaining a final DMSO of 0.1–1% v/v or as validated for your system.
Precipitation control: Add compound last, with gentle mixing; consider 0.01–0.05% non-ionic surfactant to reduce aggregation where compatible.
Adsorption minimization: Use low-bind plastics or glass; pre-wet tips with buffer containing the vehicle.
pH sensitivity: Without structure, pH-dependent ionization is unknown. If behavior suggests pH-dependent solubility, perform a pH–solubility profile (pH 5–9) to identify optimal assay conditions.
Note: No specific buffer recipes or pKa values can be provided for this item from the current Product Data.
Green Alternatives
As a discovery ligand rather than a solvent or bulk reagent, “green alternatives” focus on greener handling and formulation choices rather than replacement chemicals.
Prefer aqueous assay systems with minimal DMSO (≤0.5–1% v/v) when compatible, to reduce solvent load.
Use microscale formats (96–1536-well) to minimize chemical and solvent consumption.
If pre-dissolution is necessary, consider bio-based or lower-toxicity co-solvents where compatible (e.g., glycerol, PEG 300/400 in small proportions) recognizing trade-offs in viscosity and detection.
Implement closed, low-evaporation plates and septa-capped vials to limit emissions and waste.
Trade-offs to consider:
Lower-toxicity carriers (e.g., PEGs) may complicate LC–MS or affect assay kinetics.
Cyclodextrin solubilization improves aqueous compatibility but adds cost and potential assay interference; pre-validate blanks.
Operational greening:
Consolidate shipments and use reusable cold-chain materials where feasible.
Dispose of organic waste via segregated streams to maximize downstream recycling/treatment efficiency.
Pharmaceutical Uses
No pharmacopeial status or excipient role is provided for this item. AZ10417808 is offered as a research-only small molecule.
Context (general for discovery compounds):
Such molecules may be used in early-stage in vitro/in vivo laboratory studies for target validation or SAR, but they are not qualified as drug substances, drug products, or excipients.
There are no approved formulation monographs associated with this listing. Any formulation experiments should be for research purposes only and documented as non-GMP.
If formulation-like studies are undertaken in research:
Characterize solubility, stability (pH/light/oxidation), and permeability under controlled lab conditions.
Use research-grade excipients and maintain segregation from clinical/GMP activities.
Reminder: This product is labeled For research use only; no therapeutic or clinical application is implied.
Physical Properties
Item-specific physicochemical specifications are not disclosed in the Product Data.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Weight (spec): Not specified for this item; refer to CoA/Spec Sheet.
Melting point (spec): Not specified for this item; refer to CoA/Spec Sheet.
Boiling point (spec): Not specified for this item; refer to CoA/Spec Sheet.
Density (spec): Not specified for this item; refer to CoA/Spec Sheet.
Solubility (spec): Not specified for this item; refer to CoA/Spec Sheet.
LogP / cLogP (spec): Not specified for this item; refer to CoA/Spec Sheet.
pKa (spec): Not specified for this item; refer to CoA/Spec Sheet.
Refractive index / UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
General laboratory guidance (non-spec, for small-molecule library compounds):
Many screening ligands are provided as solids and are routinely prepared as 10–50 mM DMSO stocks. Verify compound-specific solubility empirically.
If aqueous work is required, consider cosolvent systems (e.g., DMSO 0.1–2% v/v in buffer) and include surfactant (0.01–0.05% Tween-20) when appropriate to reduce aggregation. Confirm compatibility with your assay.
Conduct a small-scale solubility screen across DMSO, DMF, MeOH, ACN, and PBS (with graded DMSO) prior to large-scale studies.
Quality and Grades
Grade/Purity: Moligand™ (as provided). Specific purity metrics and impurity limits are not listed in the Product Data and should be confirmed on the CoA/Spec Sheet.
About Moligand™ grade (general description):
Moligand™ denotes compounds curated for use as small-molecule ligands in discovery workflows (screening, SAR, probe development). Emphasis is typically placed on identity confirmation and suitability for bioassay preparation (e.g., DMSO stockability), rather than chromatographic solvent performance.
What this means in practice:
Expect provision suitable for primary/secondary screening and mechanistic studies. If your use requires elevated standards (e.g., trace-metal limits, sub-ppm water, UV-transparency for LC/UPLC), request a lot-specific CoA.
Item-specific details such as analytical purity (%), residual solvents, counterions/salt form, water content, and spectral data are: Not specified for this item; refer to CoA/Spec Sheet.
Recommendations:
For quantitative biophysics or MS-grade analytics, verify purity by orthogonal methods (HPLC/UPLC, NMR, HRMS).
If required, perform bench-top re-purification (e.g., flash or preparative HPLC) guided by your assay tolerance and detection method.
Reaction and Applications
This product is supplied as a ready-to-use small molecule for discovery workflows rather than as a synthetic reagent. No manufacturer reaction guidance is provided for this item.
Research applications (general for Moligand™ compounds):
Target screening: Use as a test article in biochemical or biophysical assays (e.g., enzyme activity, binding, SPR, DSF, thermal shift) to evaluate interactions with proteins or nucleic acids.
Cell-based assays: Assess phenotypic responses, pathway modulation, or chemical genetics readouts at graded concentrations with proper vehicle controls.
SAR development: If analogs are available, use potency and ADME data to refine structure–activity relationships.
Probe development: Prioritize selectivity, cell permeability, and stability; confirm on-target effects with orthogonal assays.
Practical tips:
Prepare concentrated DMSO stocks (e.g., 10–20 mM), filter-sterilize if needed using PTFE or PES (avoid adsorption-prone membranes for lipophilic compounds).
Track freeze–thaw cycles, light exposure, and precipitation upon dilution; maintain a usage log.
Validate with orthogonal detection (e.g., LC–MS quantification of media/extracts) to confirm exposure vs observed effects.
Note: Without a disclosed structure, specific reaction chemistry or derivatization conditions cannot be recommended for this item.
Reaction Conditions
No reaction or transformation guidance is provided for this specific item. As supplied, AZ10417808 is intended for use as a test article in assays rather than as a reagent.
If chemical modification is pursued after structure confirmation (general notes):
Choose conditions based on the most sensitive motif (e.g., avoid strong base with acid-labile moieties; protect nucleophilic heterocycles during acylations if needed).
Typical late-stage diversification strategies employ mild couplings (e.g., Suzuki at 25–60 °C with Pd catalysts in mixed aqueous/organic media) or reductive aminations (NaBH3CN or BH(OAc)3 in MeOH/DCE) when amines/aldehydes are present.
Maintain inert atmosphere and dry solvents for moisture-sensitive couplings; monitor by LC–MS.
Because the item’s structure is not specified here, the above are general literature practices and not item-specific recommendations.
Safety and Handling
Safety classification details are not provided in the Product Data and may vary with jurisdiction. Always refer to the official SDS for authoritative information.
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 for small-molecule research compounds:
Handle in a fume hood and avoid inhalation, ingestion, and skin/eye contact. Wear safety glasses, lab coat, and appropriate gloves (nitrile recommended). Consider double-gloving for extended handling.
Avoid dust and aerosols. Use closed containers and secondary containment when transporting.
Incompatibilities are unknown; as a precaution, separate from strong oxidizers and strong acids/bases until specific compatibility data are known.
First aid overview (non-specific):
Skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing. Seek medical evaluation.
Inhalation: Move to fresh air; seek medical attention if symptoms persist.
Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
Spill response: Cover small spills with inert absorbent (e.g., vermiculite), collect, and dispose as chemical waste per institutional guidelines.
Disposal: Treat as organic laboratory waste unless otherwise specified on SDS.
Note: This product is designated For research use only.
Solvent Selection
Item-specific solubility is not reported. The following guidance reflects common practice for drug-like ligands.
Primary stock solvent: DMSO (typical 10–50 mM). If poor solubility is observed, consider DMF as an alternative.
Secondary organic solvents for pre-dissolution/tests: MeOH, EtOH, ACN. Warm gently (≤40 °C) and sonicate if needed.
Aqueous assay buffers: Dilute DMSO stocks into buffer to a final 0.1–1% v/v DMSO, balancing solubility and biological compatibility. Verify that your assay tolerates the selected DMSO level.
If the compound is highly lipophilic, limited aqueous solubility may necessitate:
Using co-solvent systems (e.g., DMSO/PEG400/buffer) or
Cyclodextrin inclusion (e.g., 2–10% HP-β-CD) where assay-compatible.
Quick comparison (general):
DMSO: strongest broad-spectrum solubilizer; hygroscopic; high boiling point; assay-compatible at low %.
DMF: strong solvent; more moisture sensitive; ensure compatibility with assay and plastics.
MeOH/EtOH: volatile, protic; good for modest polarity compounds; often limited by assay tolerance.
ACN: aprotic, volatile; useful for HPLC and sample preparation, but limited bioassay tolerance.
Tip: Perform a tiered solubility screen (DMSO → DMF → MeOH/ACN) and document precipitation on aqueous dilution.
Storage and Reconstitution
Storage Conditions (as provided): Store at −20 °C.
Shipping: Shipped in ice chest + ice pads to maintain low temperature.
General best practices for small-molecule library items:
Keep container tightly closed, protected from moisture and light. Consider a desiccant in secondary containment.
For working solutions, prepare DMSO stocks (e.g., 10–20 mM). Filter if needed using compatible membranes (PTFE/PES). Record preparation date and lot.
Aliquot stocks to single-use volumes to avoid repeated freeze–thaw. Store stocks at −20 °C to −80 °C depending on stability; avoid frost-free freezers.
Thaw on ice, mix gently, and inspect for precipitation or discoloration before use. If precipitated, warm to room temperature and vortex/sonicate briefly.
Aqueous dilutions should be prepared fresh and used promptly; discard after the experiment unless stability has been verified.
Item-specific stability (light sensitivity, peroxide formation, hydrolysis sensitivity, water content): Not specified for this item; refer to CoA/Spec Sheet.
Reminder: For research use only.
Structure and Identity
Brief overview: AZ10417808 is listed in Aladdin’s Moligand™ small-molecule collection as a research ligand candidate. Item-specific structural identifiers are largely not disclosed in this listing.
Product Name: AZ10417808 (SKU: A607827)
CAS: 331645-84-2
PubChem CID: 135665263
InChIKey: 388431 (as provided; appears truncated/not standard length)
SMILES: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
Structural features (general guidance):
The precise 2D/3D structure and functional group set are not provided in the Product Data. Without a verified SMILES/InChI, specific functional groups, ring systems, or stereochemistry cannot be enumerated for this catalog entry.
As a Moligand™ library compound, it is typically a discrete, drug-like small molecule suitable for target screening, SAR, and probe development.
Notes on representation:
If structure is needed for modeling or docking, request the structure file (SMILES/SDF) via CoA/Spec Sheet from Aladdin Scientific or consult authoritative databases using the provided CAS/CID.
Synthetic Utility
This catalog entry is intended as a finished small molecule for screening rather than a building block. The Product Data do not disclose structure or functional groups, precluding specific synthetic guidance.
General considerations if derivatization is contemplated (post-structure confirmation):
Identify handle functional groups (e.g., anilines, phenols, halides, nitriles, carboxylates) that enable diversification via amide coupling, SNAr, cross-coupling (Suzuki, Buchwald–Hartwig), reductive amination, or late-stage C–H activation.
For SAR, design matched pairs (electron-donating/withdrawing, heteroatom isosteres, ring bioisosteres) and evaluate ADME shifts.
Consider biotinylated or photoaffinity analogs (diazirines, benzophenones) for chemoproteomics if target ID is a goal.
Caution:
Without a verified structure, do not assume reactivity or stability. Obtain the structural dossier (SMILES/SDF, NMR, MS) for the specific lot prior to any synthetic campaign.
Target Specificity
No target, selectivity profile, or mode of action information is provided in the Product Data for AZ10417808.
Verified molecular targets, potency (IC50/Ki/EC50), and off-targets: Not specified for this item; refer to CoA/Spec Sheet or internal validation.
Species selectivity and cross-reactivity: Not specified for this item.
Recommendation:
Establish target engagement with orthogonal assays (biophysics and cellular) and run counterscreens against related families to quantify selectivity before mechanistic interpretation.
Need help choosing the grade?
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
