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%
Synonyms
AZ 505 | AZ-505 | N-Cyclohexyl-3-(3,4-dichlorophenethylamino)-N-(2-(2-(5-hydroxy-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethylamino)ethyl)propanamide
This compound belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
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
Tested applications and recommended conditions: Not specified for this item; refer to CoA/Spec Sheet.
General guidance (for planning only; not item specifications):
Prepare a sterile DMSO stock (commonly 10 mM). For biochemical assays, perform an 8–10 point serial dilution (e.g., 3-fold) to estimate IC50 under your assay conditions.
For cell-based studies, begin with a broad concentration range (e.g., 0.03–30 µM) and refine based on observed on-target readouts and cytotoxicity; maintain constant final DMSO across treatments.
Include appropriate controls: vehicle-only, positive control inhibitor (if available), and orthogonal assay readouts to confirm mechanism.
Record exact lot number and storage history to ensure reproducibility.
Biological Roles
Item-specific biological/target information: Not specified for this item; refer to CoA/Spec Sheet.
Literature/general context (for professional users; not item specifications):
AZ505 is broadly cited as a chemical probe in the epigenetics field. Compounds in this class are often used to interrogate protein methyltransferase activity and downstream biology (e.g., histone lysine methylation states and non-histone substrate methylation).
Typical studies assess biochemical inhibition in purified enzyme systems, cellular target engagement (e.g., NanoBRET/ CETSA/ pulldown), and effects on histone marks by immunoblotting or mass spectrometry.
Off-target profiling across enzyme families is commonly performed using biochemical panels or chemoproteomics to establish selectivity windows and guide SAR.
No medical or clinical uses are implied; all applications are for laboratory research only.
Buffer Applications
Not a buffer or buffering reagent. This product does not define or maintain pH and is not typically used to prepare buffer systems.
Practical note for assay buffers (general guidance):
When dosing small-molecule probes from DMSO stocks into biological buffers, select buffers compatible with the target and detection method (e.g., HEPES or Tris for many enzymatic assays; maintain ionic strength with NaCl; include detergents like 0.01–0.05% Tween-20 to mitigate adsorption if needed).
Maintain final organic solvent content low (≤0.5–1% v/v DMSO) and include matched vehicle controls.
Green Alternatives
Applicability: As a defined small-molecule research probe, AZ505 itself is the object of study rather than a consumable reagent to be replaced by greener substitutes. Thus, a “green alternative” is generally not applicable.
Use high-concentration DMSO stocks to minimize solvent volumes; DMSO is preferable to more hazardous dipolar aprotics (e.g., DMF, NMP) for bioassays.
Plan experiments to reduce waste: miniaturize assay formats (384/1536-well) and use acoustic or low-dead-volume dispensing to cut solvent consumption.
Employ closed, cold-chain logistics to reduce degradation and extend shelf life, thereby avoiding repeated syntheses or purchases.
Comparison of common stock solvents (general):
DMSO: relatively low volatility, good EHS profile for lab use; biodegradable but with aquatic toxicity at high concentrations—collect and dispose properly.
Ethanol: renewable feedstocks; higher volatility; may interfere with membrane/protein assays at modest v/v.
DMF/NMP: strong solvency but less desirable EHS profiles—avoid when possible in biological contexts.
Pharmaceutical Uses
Item-specific regulatory/formulation status: Not specified for this item; refer to CoA/Spec Sheet.
Context (general; no therapeutic claims):
AZ505 is used as a research tool compound in preclinical discovery settings, such as enzyme assays and cellular studies, to explore target biology and support structure–activity relationship (SAR) development. It is not supplied for use as a drug substance, excipient, or in any human/animal clinical application.
For formulation research in vitro, typical practice is to dose from DMSO stocks into aqueous media; for in vivo method development, researchers often perform separate, de novo formulation feasibility studies. Such work is outside the scope of this product’s intended use and requires appropriate regulatory oversight.
Physical Properties
Item-specific specifications: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: 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.
Solubility: Not specified for this item; refer to CoA/Spec Sheet.
LogP, pKa: Not specified for this item; refer to CoA/Spec Sheet.
Literature/general information (context only; not item specifications):
Small-molecule screening probes like AZ505 are commonly handled as solids and prepared as concentrated DMSO stock solutions (e.g., 10–50 mM) for biochemical assays and cellular studies. Actual solubility limits and physicochemical constants should be verified experimentally or from the original references and should not be inferred without data.
For in vitro work, aqueous working solutions are typically prepared by diluting a DMSO stock into the assay buffer, keeping final DMSO at ≤0.5–1% v/v to minimize solvent effects. Optimize empirically for your assay system.
Quality & Grades
Item-specific grade:
Grade/Purity: Moligand™ (per Product Data). Specific purity metrics and related analytical limits are not specified for this item; refer to CoA/Spec Sheet.
What Moligand™ implies (general description; not a specification):
Moligand™ designation typically denotes a small-molecule ligand/probe suitable for screening, target engagement studies, and SAR research. Such products are generally prepared and packaged with research screening workflows in mind (e.g., DMSO solubility, minimized adventitious moisture exposure during packaging).
Analytical controls to expect (guidance; verify per CoA):
Identity confirmation commonly by NMR and/or MS; purity by HPLC/UPLC with UV detection; water by Karl Fischer if relevant; residual solvents by GC.
UV cutoff, metal content, residual inorganic salts, or particulates are not specified for this item; refer to CoA/Spec Sheet.
Stabilizers/ additives:
No stabilizer information is provided for this item. If stabilizers or formulating excipients are relevant to your application, consult the CoA/Spec Sheet or request a regulatory/technical package from Aladdin Scientific.
Reaction & Applications
This product is a research small-molecule probe and is not typically employed as a synthetic reagent or coupling partner in preparative chemistry.
If used in chemistry workflows (general, non-item-specific guidance):
Stability toward bases/acids, nucleophiles, and oxidants should be evaluated empirically before planning derivatization or immobilization.
For bioconjugation or assay immobilization, confirm presence/absence of reactive handles (amines, phenols, carboxylates) from structural data in the CoA/Spec Sheet or literature before attempting coupling.
Primary research applications (literature context; not item specifications):
AZ-series compounds are commonly used as tool compounds in target validation, enzyme profiling, and structure–activity relationship (SAR) studies in chemical biology and epigenetics research. Users typically assess on-target potency, selectivity across related enzymes, and cellular target engagement via biochemical assays and chemoproteomics.
Practical assay considerations:
Prepare fresh or thawed aliquots immediately before use to minimize freeze–thaw and hydrolysis/oxidation risk.
Include vehicle (DMSO) controls and, when possible, orthogonal readouts (e.g., enzymatic activity plus biophysical binding) to confirm mechanism-related effects.
Reaction Conditions
Not typically applicable. AZ505 is used as a bioactive research probe rather than as a reagent/catalyst in chemical reactions; no item-specific reaction conditions are provided.
For assay-related solution handling (general guidance; not item specifications):
Prepare concentrated DMSO stocks (e.g., 10–50 mM), aliquot, and store frozen to avoid repeated freeze–thaw.
Thaw on ice and dilute into assay buffer immediately before use; maintain final DMSO content low (≤0.5–1% v/v) and constant across test and control wells.
Adsorptive losses can be mitigated by using low-binding plastics and including a small amount of non-ionic detergent (e.g., 0.01–0.05% Tween-20) where compatible.
Safety & Handling
GHS classification and hazards (item-specific):
Signal word: Not specified for this item; refer to SDS.
Hazard statements (H-phrases): Not specified for this item; refer to SDS.
GHS pictograms: Not specified for this item; refer to SDS.
General laboratory precautions (advice; defer to SDS for authoritative guidance):
Handle in a chemical fume hood using appropriate PPE: lab coat, safety glasses, and suitable chemically resistant gloves.
Avoid inhalation, ingestion, and skin or eye contact. Prevent dust or aerosol formation.
Incompatibilities are not specified; as a precaution, keep away from strong oxidizers and acids/bases until compatibility is confirmed from SDS/CoA.
In case of contact, rinse affected area with water for 15 minutes and seek medical attention as appropriate. If inhaled, move to fresh air; if ingested, rinse mouth and seek advice from a medical professional.
For spill response, absorb with inert material, collect for disposal, and decontaminate the area per institutional EHS procedures.
Waste disposal:
Dispose of as organic laboratory waste compliant with local regulations and institutional guidelines.
Solvent Selection
Item-specific solubility: Not specified for this item; refer to CoA/Spec Sheet.
General solvent strategy for small-molecule probes (context; not item specs):
Primary stock solvent: DMSO is typically preferred due to high solvency for heteroaromatic probes and broad assay compatibility.
Assay dilution: Dilute DMSO stocks into aqueous assay buffers (e.g., HEPES, Tris, PBS) while maintaining final DMSO ≤0.5–1% v/v to minimize solvent effects on proteins and cells.
Alternate solvents (as needed): DMF or ethanol for stock preparation when DMSO is unsuitable; co-solvent systems (DMSO + buffer + small % Tween-20 or PEG-400) can aid solubilization for kinetic assays. Verify target and assay compatibility.
Practical tips:
Warm gently (room temperature) and vortex/sonicate to fully dissolve before aliquoting.
Filter sterilize only if required and chemically compatible; many hydrophobic probes adsorb to filters—use low-binding membranes if filtration is necessary.
Comparison (general):
DMSO vs DMF: DMSO is less volatile and broadly biocompatible; DMF offers similar solvency but poses higher toxicity and is less favored in bioassays.
Ethanol: good for rapid dilutions but may perturb membranes and proteins at modest percentages; limit final EtOH to ≤0.5% v/v when possible.
Storage & Reconstitution
Item-specific storage and shipping:
Storage: Store at −20°C (per Product Data). Avoid repeated freeze–thaw cycles by aliquoting upon first opening.
Shipped: Ice chest + ice pads (per Product Data).
Item-specific stabilizers and form: Not specified for this item; refer to CoA/Spec Sheet.
General reconstitution guidance (not item specifications):
Allow vial to equilibrate to room temperature in a desiccated environment before opening to prevent condensation ingress.
Dissolve in anhydrous DMSO to prepare a concentrated stock (e.g., 10–50 mM), vortex/sonicate gently to aid dissolution, and pass through a low-binding syringe filter only if necessary.
Aliquot stocks into low-binding microtubes, flush with inert gas if feasible, and store at −20°C or below. Protect from light if the structure suggests chromophores prone to photodegradation.
For working solutions, dilute into assay buffer immediately before use; discard unused diluted solutions at end of day to minimize degradation.
Specifications such as water content, residual solvent limits, metal content, and UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
Research Use Only: As stated in the Product Data, this product is for research use only; not for human or veterinary use.
Structure & Identity
Item-specific identifiers (from Product Data):
Product Name: AZ505 (SKU: A607844)
CAS: 1035227-43-0
PubChem CID: 24961094
InChIKey: 200035 (as provided)
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 (item-specific):
Not specified for this item; refer to CoA/Spec Sheet.
Literature/general identity notes (for context; not item specifications):
AZ505 is widely referenced in the literature as a small-molecule chemical probe used in epigenetics research. Detailed structural depictions and stereochemical assignments can be found in primary publications and curated databases (e.g., PubChem entry for the provided CID). Consult these sources for a 2D depiction and functional group annotation if needed for cheminformatics or computational work.
Synthetic Utility
This product is primarily a finalized small-molecule probe rather than a synthetic building block. Synthetic transformations using this molecule as a reagent are uncommon.
If derivatization is desired (general considerations; confirm structure from CoA/literature first):
Identify potential functional handles (e.g., amine, phenol, carboxyl, halogen) suitable for coupling to linkers, affinity resins, or reporter tags. Ensure that modification does not abrogate binding to the biological target.
Protecting-group strategy and site-selective functionalization should be informed by computational docking, SAR literature, or co-crystal structures to retain activity.
For probe development, bioorthogonal appendages (alkynes/azides) are often introduced at solvent-exposed positions; validate retained potency post-modification.
Purification/analytics (general):
Use reversed-phase preparative HPLC with gradient elution; confirm identity by HRMS and purity by UPLC/UV. Assess stability by stress testing (light, heat, pH) before long studies.
Target Specificity
Item-specific target and selectivity data: Not specified for this item; refer to CoA/Spec Sheet.
Note:
While literature may discuss target profiles for AZ505-class compounds, Aladdin provides no item-specific target, selectivity, or potency data in the current Product Data. Users should consult primary literature and perform their own target validation under their assay conditions.
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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