GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
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.
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Application Protocols
No tested application protocols are provided in the product data for this item.
General starting points (non-validated, practice-based guidance):
Preparation of DMSO stock: Dissolve at 10–20 mM in anhydrous DMSO; vortex/sonicate if needed. Store small aliquots to avoid repeated freeze–thaw.
Enzyme inhibition assay (overview):
Buffer: 25–50 mM HEPES, pH 7.4; 150 mM NaCl; 0.01% Tween‑20 (omit chelators for metalloenzymes unless control).
Maintain final DMSO ≤1%. Pre-incubate compound with enzyme (10–30 min), initiate with substrate; measure initial rates.
Include vehicle, no-enzyme, and reference inhibitor controls. Fit dose–response to obtain IC50; confirm MOI by varying substrate concentration.
Biophysical confirmation: Validate binding by DSF/CETSA or SPR as appropriate; ensure buffer compatibility with the target.
These suggestions are offered as high-level guidance only and are not item-specific validated protocols. Users should optimize for their systems and refer to the CoA/SDS for any constraints.
Biological Roles
Research context (literature, not product-specific claims):
AZD1236 is reported in the scientific literature as a small-molecule inhibitor used to interrogate the biology of matrix metalloproteinases (notably MMP-9 and MMP-12). These enzymes participate in extracellular matrix remodeling and proteolytic processing of signaling molecules.
As a tool compound, AZD1236 has been used to probe enzyme activity, validate target engagement, and benchmark assay performance in biochemical systems. Such studies can help delineate structure–activity relationships (SAR) and inform probe design.
Experimental considerations for biological use (general):
Maintain constant vehicle concentration across controls and treatments (typically ≤0.5–1% DMSO) to avoid confounding effects.
Confirm direct target engagement with orthogonal methods (e.g., CETSA/DSF for thermal stabilization, SPR/ITC for binding energetics) in addition to activity assays.
Be alert to metalloenzyme assay artifacts: residual chelators (EDTA) or buffer components can alter apparent potency. Use validated substrates and include counter-screens against unrelated proteases.
Important note:
The above roles summarize literature usage patterns for AZD1236 as a research tool. This catalog entry is provided strictly for research use only. No clinical or diagnostic uses are implied or supported.
Buffer Applications
This product is not a buffering agent. However, buffer choice is critical when using small-molecule ligands in biochemical assays.
General guidance for enzyme assays (metalloenzyme-focused, not item-specific):
Buffer system: HEPES, Tris, or MOPS (25–50 mM) at neutral pH (7.2–7.5) are common starting points; avoid buffers containing strong metal chelators (e.g., EDTA) when working with metalloproteinases unless specifically required for controls.
Ionic strength: 100–150 mM NaCl can improve protein stability and reduce nonspecific interactions.
Cofactors and metals: Include necessary divalent cations (e.g., Ca2+, Zn2+) at physiological levels if the enzyme requires them; verify against the target’s biochemistry.
Additives: 0.01–0.05% nonionic detergent (Tween‑20 or Triton X‑100) can mitigate aggregation-based interference. Add 0.1% BSA if nonspecific adsorption to plastics is observed.
Vehicle control: Keep final DMSO ≤0.5–1% v/v and constant across all wells. Pre-equilibrate enzyme with vehicle before initiating reactions.
Preparation tips:
Filter buffers (0.22 µm) and degas to enhance assay reproducibility.
Validate buffer composition by running a known reference inhibitor alongside the test article to confirm dynamic range and signal window.
Green Alternatives
As a small-molecule screening ligand, the main environmental footprint arises from solvent use, consumables, and waste management rather than the compound itself. Consider the following greener practices:
Stock preparation: Prefer DMSO over chlorinated solvents. Where feasible, prepare higher-concentration stocks to minimize solvent volume and shipping footprint.
Assay media: Keep final DMSO at the lowest effective percentage (≤0.5–1%) to reduce solvent usage and facilitate downstream aqueous waste processing.
Analytical methods: Optimize LC methods to use shorter columns, smaller particle sizes, and water-rich gradients to cut acetonitrile consumption. Explore supercritical CO2 (SFC) for chiral/separations where suitable.
Workflows: Adopt miniaturized screening (e.g., 384/1536-well formats) to reduce solvent and plastic consumption per data point.
Waste segregation: Separate halogenated from non-halogenated solvents. Consider activated carbon capture for dilute organic streams when permitted.
Illustrative comparison (general):
DMSO vs chlorinated solvents (e.g., DCM): DMSO is higher boiling and less volatile/toxic; disposal is typically simpler. DCM offers rapid evaporation but higher environmental and health burdens.
Aqueous buffers with ≤1% DMSO vs neat organic media: Aqueous systems reduce VOCs and flammability, though compound solubility and stability must be verified.
These are general sustainability practices and not item-specific specifications.
Pharmaceutical Uses
No pharmacopeial or GMP status is claimed for this item; it is supplied strictly for research use only.
AZD1236 has been used as a reference inhibitor in research to benchmark analytical methods (e.g., LC–MS/MS quantitation) and to develop/validate biochemical assays involving metalloproteinases.
In drug discovery laboratories, such tool compounds can serve as positive controls for screening cascades, for profiling off-target selectivity, and for building structure–activity relationships (SAR) around a target class.
Formulation-style activities for preclinical in vitro work may include preparing DMSO stocks (e.g., 10–20 mM), diluting into aqueous assay media, and evaluating solubility/stability under storage and assay conditions.
Important restrictions:
This product is not manufactured under GMP, is not a drug substance or excipient, and carries no claims of therapeutic utility. Any use beyond basic research (e.g., in vivo dosing, clinical evaluation) requires appropriate sourcing and regulatory oversight outside the scope of this catalog entry.
Physical Properties
Item-specific physicochemical specifications are not listed in the product data for this catalog entry.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
Boiling point (BP): Not applicable/unknown for a non-volatile solid; exact value not specified for this item.
Density: Not specified for this item; refer to CoA/Spec Sheet.
Refractive index: Not applicable for solids; not specified for this item.
Solubility: Not specified for this item. Practical note (general): small, lipophilic screening ligands are commonly soluble in DMSO at 10–50 mM and variably soluble in aqueous buffers with co-solvent (≤1–2% v/v DMSO); confirm experimentally.
pKa / logP: Not specified for this item; refer to CoA/Spec Sheet or calculate from a verified structure.
General guidance (literature/practice, not item-specific):
If the compound is hydrophobic, prepare concentrated DMSO stock and dilute into assay buffer keeping final DMSO ≤0.5–1% to minimize assay artifacts.
Assess solubility and aggregation via nephelometry or light scattering and include a detergent (e.g., 0.01% Tween-20) when appropriate to mitigate nonspecific aggregation.
Determine exact physicochemical parameters from the certificate of analysis (CoA) provided with your lot for rigorous method development.
Quality & Grades
Grade/Purity (as provided): Moligand™
What Moligand™ typically denotes (general explanation):
A research-grade small-molecule compound intended for ligand screening, mechanistic enzymology, and target validation workflows.
Emphasis on identity confirmation and usability in discovery assays rather than ultra-trace analytical specifications required for GMP. UV cutoff, metal content, water/peroxide content, and residual solvent limits are not specified for this item; consult the CoA/Spec Sheet for details relevant to your lot.
Implications for professional users:
Suitable for biochemical and cell-free assays, selectivity profiling, and as a reference/positive control in method development.
If your application requires regulatory compliance (e.g., pharmacopeial reference standard, clinical manufacturing), request a higher documentation package and full analytical profile.
Identity/authenticity:
Verify identity by orthogonal methods appropriate to your lab’s QA (e.g., LC–MS, HRMS, 1H/13C NMR) prior to critical studies. Retention time matching with a verified standard and accurate mass confirmation are best practice.
Stabilizers/Additives:
Not specified for this item; refer to CoA/Spec Sheet. If none are listed, treat as neat compound; protect from moisture, heat, and light as a precaution until stability is established.
Reaction & Applications
This product is a research ligand for biochemical/biophysical studies rather than a synthetic reagent. Accordingly, classical organic reactions (e.g., cross-coupling, Grignard) are not typical use cases for this catalog item.
Relevant application areas (general, discovery-focused):
Enzymology and target validation: Use as a small-molecule tool in enzyme inhibition assays, kinetic analyses (IC50/Ki determination), and mechanistic evaluations (e.g., mode-of-inhibition studies). Maintain consistent DMSO levels across controls.
Selectivity profiling: Evaluate activity across related enzyme families or off-target panels to build a preliminary selectivity map. Employ orthogonal readouts (fluorogenic vs LC–MS turnover assays) to rule out assay artifacts.
Biophysical binding: Confirm binding using SPR, ITC, DSF, or CETSA; ensure buffer composition avoids detergent or metal chelators that could confound binding for metalloenzymes.
Cell-free vs cellular: Start with purified protein or cell lysate systems to establish potency, then (if appropriate for your lab) explore cellular context, accounting for permeability and efflux.
Practical tips:
Validate compound integrity by LC–MS before and after assay runs to exclude degradation.
Quantify free ligand concentrations in protein-rich media where nonspecific binding may reduce free fraction.
Use appropriate plate controls: no-enzyme, no-substrate, vehicle, and known reference inhibitor when available.
Reaction Conditions
Classical reaction parameters (temperature, catalysts, equivalents) are not applicable: this item is a research ligand, not a synthetic reagent. The most relevant “conditions” pertain to solution handling and assay setup.
General dissolution/handling conditions (practice-based, not item-specific specs):
Stock solutions: Prepare in anhydrous DMSO at 10–20 mM. Vortex and, if needed, sonicate briefly. If insoluble, warm gently (<40 °C) and re-evaluate; avoid prolonged heating.
Filtration: For sensitive biophysical assays, pass solutions through 0.22 µm PTFE filters to remove particulates/aggregates.
Light/moisture: Protect from strong light and humidity until stability is known; store aliquots to minimize freeze–thaw.
Assay setup considerations (general):
Final DMSO: Keep ≤0.5–1% v/v across all wells/samples.
Equilibration: Allow pre-incubation with target protein (e.g., 10–30 min) to reach binding equilibrium before initiating reactions.
Controls: Include vehicle, no-enzyme, and known reference inhibitor controls to confirm dynamic range and rule out artifacts.
Stability checks:
Verify pre- and post-assay integrity by LC–MS to detect degradation or adsorption losses.
Note: No item-specific kinetic solubility, pKa, or stability constants are provided; consult the CoA/Spec Sheet and perform small-scale pilot tests.
Safety & Handling
Safety information specific to this item is not provided in the product data.
GHS Classification / Pictograms / Signal Word / H-Statements: Not specified for this item; refer to SDS.
Primary use: For research use only (as stated by manufacturer). Not for human or animal diagnostic or therapeutic use.
General laboratory precautions (good practice):
Handle in a chemical fume hood; avoid inhalation and contact with skin/eyes.
Wear appropriate PPE: lab coat, safety glasses, and nitrile gloves. Change gloves regularly when handling DMSO solutions, which can facilitate dermal uptake.
Avoid dust generation and aerosols; weigh with care using antistatic tools.
Incompatibilities (general): Avoid strong oxidizers and strong acids/bases until compatibility is known. Do not mix with reactive reducing agents without prior assessment.
First aid (overview): In case of contact, rinse affected area with water for at least 15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If ingested or if irritation persists, seek medical attention. Always follow the SDS for authoritative instructions.
Waste: Collect organic solutions and contaminated disposables in halogenated/non‑halogenated organic waste as appropriate; treat DMSO-containing streams per local regulations.
Always consult the lot-specific SDS for authoritative hazard classification and response measures.
Solvent Selection
This compound is supplied as a discovery ligand; optimal solvent strategy depends on its lipophilicity and ionization state, which are not specified for this item.
General, practice-based recommendations for small-molecule screening compounds:
Primary stock solvent: DMSO (anhydrous) is typically preferred due to broad solvency and biological compatibility at ≤0.5–1% v/v in assays.
Secondary solvents (if needed): DMF or ethanol can assist co-solubilization; confirm assay tolerance. For analytical injections, ACN/H2O with 0.1% formic acid or ammonium buffer is common.
Aqueous compatibility: Prepare a concentrated DMSO stock (e.g., 10–20 mM), then dilute into buffer maintaining final DMSO <1%. Include mild surfactant (e.g., 0.01% Tween-20) if aggregation is suspected.
pH effects: If the compound contains ionizable groups (unknown here), solubility may improve at appropriate pH. Use buffering systems compatible with the biological target and detection method.
Small comparison (general):
DMSO vs ethanol: DMSO provides higher solvency and chemical stability; ethanol offers faster evaporation and may be preferable for plate coating but is less tolerated at high % in enzyme assays.
DMSO vs DMF: Both are strong solvents; DMSO has better biocompatibility, while DMF can introduce assay interference at lower levels.
Always confirm solvent choice empirically using clarity checks, LC–MS, and replicate assay performance.
Shipped In: Not specified for this item; refer to CoA/Spec Sheet.
Appearance/Form: Not specified for this item; refer to CoA/Spec Sheet.
General guidance for small-molecule screening ligands (not item-specific specifications):
Long-term storage: Keep in a desiccator, protected from light, at ambient temperature unless the CoA indicates otherwise. For sensitive compounds, refrigeration (2–8 °C) may improve stability; verify compatibility with your lot.
Reconstitution:
Dissolve in anhydrous DMSO to prepare a concentrated stock (e.g., 10–20 mM).
Vortex and, if necessary, sonicate briefly. Avoid prolonged heating.
Filter through 0.22 µm PTFE for assays requiring low particulate background.
Aliquoting: Dispense single-use aliquots (e.g., 10–50 µL) to prevent repeated freeze–thaw and adsorptive losses.
Working solutions: Dilute into assay buffer maintaining final DMSO ≤0.5–1% v/v. Use freshly prepared working solutions when possible.
Stability monitoring: Periodically check by LC–MS or HPLC for degradation during storage; document retention time and purity for QA.
Always defer to the lot-specific CoA and SDS for definitive storage, stability, and handling instructions.
Structure & Identity
A high-quality small-molecule research ligand supplied under Aladdin’s Moligand™ grade, suitable for screening and mechanistic studies.
Product Name (catalog): AZD1236
SKU: A607854
CAS (as provided): A607854
PubChem CID (as provided): 24751752
InChIKey (as provided): 334523
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, literature context):
AZD1236 is widely described in the literature as a small-molecule inhibitor used as a research tool in metalloproteinase biology. Specific functional group details and stereochemistry should be confirmed against the item’s CoA/SDS for this catalog entry.
2D structural description (general guidance):
Small-molecule “tool compounds” in this class typically feature heteroatom-rich pharmacophores coordinated to a hydrophobic scaffold; however, exact ring systems, substitution patterns, and tautomeric states for this catalog lot are not specified here. Always verify structural identifiers (SMILES/InChI) directly from the accompanying documentation if structural fidelity is critical to your study.
Synthetic Utility
This catalog item is intended as a bioactive research ligand rather than a synthetic building block; routine preparative transformations using this compound as a reagent are not typical.
Potential utility in a synthetic/analytical laboratory (general):
Analytical reference standard: Use for LC–MS or HPLC method development and retention-time/response factor calibration when studying related chemical series.
Comparative SAR: As a known literature tool against select targets, it can anchor SAR tables and guide the design of analogs (prepared separately) with modifications to heteroaromatic, chelating, or hydrophobic regions.
Metabolite identification studies: Serve as a parent compound in microsomal/S9 incubations for pathway elucidation, followed by isolation of metabolites for structural characterization.
Caveats:
No item-specific reactivity profile, protective groups, or functional handles are provided in the product data. If semisynthetic derivatization is desired, confirm the exact structure and functional group compatibility from the CoA/SDS and consider procuring designated intermediates instead.
Summary:
Treat this product as a tool/standard in discovery and analytical contexts rather than as a coupling partner or reagent in multistep synthesis.
Target Specificity
Only product data should be used here; the catalog entry does not specify any target details.
Target/Enzyme/Pathway: Not specified for this item.
Species reactivity: Not specified for this item.
Potency/selectivity metrics (IC50/Ki, off-targets): Not specified for this item.
Epitope/Binding site/Mechanism: Not specified for this item.
For studies requiring defined target specificity, consult peer-reviewed literature for AZD1236 and confirm alignment with the identity of the material supplied in your lot via the CoA and SDS before use.
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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