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 diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl 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.
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular
478.500 g/mol
XLogP3
1.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
9
Exact Mass
478.196 Da
Monoisotopic Mass
478.196 Da
Topological Polar Surface Area
129.000 Ų
Heavy Atom Count
35
Formal Charge
0
Complexity
710.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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
Calculadoras de soluciones
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Application Protocols
Tested/validated applications for this specific catalog item are not provided in the Product Data.
General starting-point protocols (for small-molecule screening compounds):
Preparation of DMSO stocks:
Weigh under dry conditions. Dissolve to 10 mM in anhydrous DMSO. Vortex and, if needed, sonicate briefly. Filter through 0.22 µm PTFE for particle-sensitive assays.
Enzyme assay dosing:
Perform 10-point 3-fold serial dilutions in DMSO. Transfer to assay plates to achieve final DMSO ≤1% v/v. Include vehicle controls and a known reference modulator when available.
Thermal shift (DSF):
Mix 2–10 µM protein with dye in suitable buffer (e.g., 25 mM HEPES, 150 mM NaCl, pH 7.4). Add compound to desired final test concentration (0.1–100 µM). Record Tm shift; confirm hits by ITC/SPR.
LC–MS quantitation (method-development sketch):
Reverse-phase C18, water/MeCN + 0.1% formic acid, 5→95% B over 5–10 min; monitor appropriate m/z for compound and potential degradants. Tune to your instrument.
These are generic templates; optimize for your system. For item-specific recommendations, consult the CoA/Spec Sheet.
Biological Roles
General/literature context: AZD1656 is widely cited in the literature as a small-molecule modulator associated with glucose metabolism research, frequently described as a glucokinase (GK) activator chemotype developed by AstraZeneca. Such compounds have been used as tool molecules to interrogate hepatic and pancreatic glucose-sensing pathways in biochemical and cellular models.
Mechanistic considerations (literature, not item-specific claims): GK activators typically bind allosteric sites to increase the enzyme’s affinity for glucose and/or catalytic rate, shifting the glucose-response curve. Assay outcomes can be sensitive to buffer composition, Mg2+ concentration, and protein source (human vs rodent isoforms).
In vitro usage notes:
Confirm the target identity and isoform used in your system; recombinant protein purity and cofactor levels affect readouts.
Control for nonspecific activation/inhibition by including detergent (e.g., 0.01% Triton X‑100 or 0.01% Tween‑20) to mitigate colloidal aggregation, and include vehicle controls.
Important disclaimer: Target specificity, potency values (EC50/IC50), and selectivity data are not specified for this catalog item. Researchers should consult primary literature and generate their own validation data under assay-relevant conditions.
No medical or therapeutic claims are made; this product is for research use only.
Buffer Applications
This item is a bioactive small molecule and is not a buffering agent. Accordingly, classical buffer-system guidance (pKa/pH ranges, buffer recipes) does not apply.
Practical notes for assay buffers (general guidance):
Prepare compound stocks in DMSO and dilute into assay buffer (e.g., HEPES, Tris, or PBS-based systems) keeping final DMSO ≤1–2% v/v unless your assay tolerates higher.
Include stabilizers (e.g., 0.01% nonionic detergent) if the compound is prone to aggregation or precipitation.
Filter buffers (0.22 µm) and degas as required for biophysical assays. Validate that the compound remains in solution at the working concentration and temperature.
Item-specific buffer compatibility and pKa are not specified for this product; verify experimentally.
Green Alternatives
Although AZD1656 is primarily used as a screening compound rather than a solvent or bulk reagent, greener choices can be made in its handling and analytical workflows.
Solvent considerations:
Prefer water-miscible, lower-toxicity solvents for dilutions when feasible: DMSO (commonly used) can be minimized in final assay mixtures (<1% v/v). Where compatible, consider ethanol or glycerol-containing vehicles at low percentages.
For chromatography, optimize MeCN/MeOH–water gradients and reduce halogenated solvent usage. Avoid dichloromethane/chloroform unless necessary for sample prep.
Process minimization:
Prepare higher-concentration master stocks to reduce solvent volume, then perform serial dilutions immediately before use to limit waste.
Use 96/384-well automated dispensing to minimize dead volume and plastic waste.
Comparative notes (general):
DMSO vs DMF: DMSO is generally preferred for toxicity and handling; DMF should be avoided in bioassays when possible.
MeOH vs CH2Cl2 for extractions: choose MeOH/EtOAc or IPA/EtOAc systems where practicable to reduce halogenated waste.
Ensure any change in vehicle does not compromise compound solubility or assay performance; revalidate controls when substituting solvents.
Pharmaceutical Uses
Scope: Provided strictly for laboratory research. This product is not formulated as a drug substance or excipient and is not intended for human or veterinary use.
Research/formulation roles (general):
Reference compound for preclinical assay development, exposure measurements, and method validation in LC–MS bioanalysis.
Tool molecule for evaluating formulation effects (solubilizers, cyclodextrins, lipid vehicles) on small-molecule stability/solubility in vitro.
Potential use as an internal or system-suitability standard in chromatographic runs that include metabolism-related chemotypes.
Pharmacopeial status: Not specified for this item; refer to CoA/Spec Sheet. No compendial monograph is claimed by Aladdin for this catalog entry.
Regulatory note: No claims of GMP status are made for Moligand™ grade. For regulated studies, request a qualified grade with appropriate documentation.
All uses must be confined to research settings under applicable regulations.
Physical Properties
Item-specific properties (Product Data):
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
Physical state/phase: Not specified for this item; refer to CoA/Spec Sheet.
General handling and typical screening-compound behavior (literature/general guidance — not item specifications):
Many drug-like small molecules are supplied as off-white to light-colored solids with moderate lipophilicity (logP ~2–4, literature ranges) and show good solubility in DMSO (10–50 mM stock solutions are commonly prepared for screening). Actual solubility for this item is not specified.
Volatility: Typically non-volatile solids; boiling point not applicable; melting point can vary widely among salt forms and is not specified for this item.
Hygroscopicity/polymorphism: Some screening compounds may be mildly hygroscopic and/or polymorphic; confirm on receipt (TGA/DSC, Karl Fischer) if your application is sensitive.
UV/Vis: Drug-like scaffolds often have useful UV absorbance in the 200–350 nm range enabling HPLC/UPLC detection; wavelength maxima and extinction coefficients are not specified for this item.
Always rely on the batch-specific CoA/Spec Sheet and SDS for authoritative property values and testing conditions.
Quality and Grades
Grade/Purity (Product Data): Moligand™
What Moligand™ implies: This is our research-focused small-molecule/ligand grade intended for screening, target validation, and chemical biology workflows. It prioritizes identity confirmation and suitability for assay work. Batch-specific purity, residual solvent levels, salt form, and counterions are provided on the CoA/Spec Sheet.
Typical quality controls (general for this grade; not item-specific specifications):
Identity confirmation by LC–MS and/or NMR.
Purity by HPLC/UPLC area% (often ≥95% for screening use; confirm on CoA).
Salt form/counterion annotation when applicable.
Water and residual solvent content as determined by KF/GC when relevant.
Implications for use:
Chromatographic and biochemical assay compatibility are emphasized. For sensitive biophysical techniques (ITC, SPR, DSF), verify buffer/solvent background and any UV-absorbing impurities by your own pre-runs.
If you require enhanced specifications (trace metals, low UV cutoff, microbiological burden), contact us for custom sourcing or additional QC; such parameters are not specified for this catalog item unless stated on the CoA.
Always consult the lot-specific CoA/Spec Sheet for definitive grade attributes and acceptance criteria.
Reaction and Applications
This product is offered as a bioactive small molecule for screening and chemical biology rather than as a synthetic reagent.
Applicable research applications (general/assay-focused):
Tool compound in enzymology or metabolism-related studies, high-throughput screening (HTS), dose–response profiling, and orthogonal assay confirmation.
Use in biophysical binding evaluations (ITC, SPR, DSF) and in vitro ADME method development (e.g., logD, microsomal stability) as a reference chemotype.
Analytical applications: development of LC–MS/MS quantitation methods for exposure or stability studies; calibration curves prepared from DMSO stocks.
Not typically applicable as a transformation reagent:
AZD1656 is not commonly used to promote or participate in named organic reactions (e.g., cross-coupling, reductions). If derivatization is desired for SAR or probe development, standard medicinal chemistry tactics (amide coupling, heteroaryl substitutions) may apply to the literature scaffold, but exact functional handles for this catalog item are not specified.
Practical tips:
Verify identity/purity by LC–MS prior to screening.
Assess compound aggregation using detergent controls or dynamic light scattering when interpreting biochemical inhibition/activation data.
Include cosolvent controls in assay design to account for DMSO or alcohol effects.
Reaction Conditions
Not typically applicable as AZD1656 is supplied as a final screening compound rather than a reagent used to effect chemical transformations.
Assay preparation conditions (general, literature-guided best practices):
Stock solutions: 10–50 mM in anhydrous DMSO; store aliquots to minimize freeze–thaw. Warm (≤40 °C) and sonicate briefly if needed; avoid prolonged heating.
Working concentrations: Commonly 0.01–100 µM in biochemical/cell-free assays; final DMSO usually ≤1% v/v. Exact potency and effective ranges for this item are not specified.
Stability checks: Perform short-term stability in assay buffer by LC–MS at room temperature and 37 °C to confirm absence of rapid degradation or adsorption.
Plate handling: Use low-binding polypropylene plates/tubes to reduce nonspecific adsorption; pre-rinse tips with dosing solution for accuracy at low nL–µL transfers.
Any temperature, time, or yield data for chemical reactions are not applicable. Refer to your assay SOPs and validate conditions empirically with appropriate positive/negative controls.
Safety and Handling
GHS classification (Product Data):
Signal word: Not specified for this item; refer to SDS.
Hazard statements (H-phrases): Not specified for this item; refer to SDS.
Pictograms: Not specified for this item; refer to SDS.
Handle in a chemical fume hood; avoid inhalation of dusts or aerosols. Use standard PPE: lab coat, safety glasses, and compatible gloves (e.g., nitrile). Wash thoroughly after handling.
Avoid contact with strong oxidizers and strong acids/bases unless compatibility is confirmed. For solution handling, ensure solvent compatibility with elastomers and plastics.
First-aid overview: In case of skin/eye contact, rinse with water for 15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If ingested, rinse mouth. Seek medical attention in all cases. Follow your institution’s EHS procedures.
Spills: Avoid dust generation. Collect using inert absorbent or damp disposable wipes; dispose of as organic laboratory waste.
Thermal hazards: Avoid excessive heating; some bioactive small molecules may decompose before melting. Do not autoclave unless stability is known.
Authoritative safety requirements, exposure limits, and transport classification must be taken from the item-specific SDS accompanying this product.
Solvent Selection
Primary stock solvent (general best practice for screening compounds): DMSO. Typical working stocks: 10–50 mM. Warm gently and vortex/sonicate to aid dissolution. Filter through 0.22 µm for cell-free assays if required.
Alternative solvents (general guidance):
Acetonitrile (MeCN): good for LC methods and some enzymatic assays at low %.
Ethanol or methanol: useful for biochemical assays with solvent tolerance ≤1–2% v/v.
Aqueous buffers: Often require cosolvent (DMSO ≤1%) and/or surfactants to avoid precipitation; compound-specific solubility not specified.
Polarity/miscibility: DMSO is miscible with water and most organics, facilitating serial dilutions into assay buffers. Avoid high final DMSO (>1–2% v/v) in sensitive biological systems.
When to choose alternatives:
Use MeCN for LC–MS quantitation to minimize ion suppression from DMSO.
Use ethanol for receptor/ion-channel assays where DMSO is poorly tolerated.
For NMR, consider DMSO‑d6, CD3OD, or CDCl3 depending on solubility; verify chemical shift dispersion.
Note: Exact solubility and stability of AZD1656 in any solvent are not specified for this item; verify experimentally and consult the CoA for guidance.
Storage and Reconstitution
Storage conditions (Product Data): Room temperature. Store in the original, tightly closed container, protected from light and moisture. For long-term retention of quality, many users aliquot into inert-atmosphere vials; practice according to your QA policy.
Shipping: Not specified for this item; refer to CoA/Spec Sheet.
Reconstitution (general guidance for screening compounds):
Dissolve in anhydrous DMSO to prepare concentrated master stocks (e.g., 10–50 mM). If aqueous stocks are required, prepare immediately before use with appropriate cosolvent and surfactant if needed.
Filter for particle-sensitive assays. Avoid repeated needle punctures of septa that can introduce moisture.
Stability considerations:
Minimize freeze–thaw by preparing single-use aliquots. Track cumulative exposure to air, light, and elevated temperature. Assess stability by LC–MS after storage.
In-use handling:
Allow vials to equilibrate to room temperature before opening to prevent condensation. Reseal promptly. Record lot number and preparation details in ELN/LIMS.
Authoritative specifications on shelf life, exact solubility, and stability are not provided here; please consult the lot-specific CoA and SDS.
CAS: Not specified for this item; refer to CoA/Spec Sheet.
InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
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): AZD1656 is reported in the literature as a small-molecule chemical probe developed by AstraZeneca; the compound is widely referenced as a member of the glucokinase-activator chemotype. Detailed structure descriptors (SMILES/InChI) vary by salt/tautomeric reporting in databases; consult a primary database or our CoA for the exact structure associated with this catalog item.
2D structure description (general): Small, heteroatom-containing aromatic drug-like scaffold typical of kinase/carbohydrate-metabolism modulators; functional groups in the literature analogs commonly include heteroaromatics and H-bonding motifs. Exact ring systems, stereochemistry (if any), and substituent patterns for this item are not specified here and should be confirmed from the CoA/SDS.
Synthetic Utility
AZD1656 is supplied as a finished bioactive small molecule and is not typically used as a general-purpose synthetic reagent.
Not typically applicable: There are no commonly cited named reactions in which AZD1656 functions as a catalyst, reagent, or auxiliary.
When synthetic derivatization is desired (general medicinal chemistry context):
Researchers may prepare analogs for SAR by modifying heteroaromatic substituents, altering H‑bond donors/acceptors, or changing lipophilicity; however, the exact functional handles present in this catalog item are not specified here.
Usual transformations for drug-like scaffolds include amide couplings (HATU/EDCI), Suzuki–Miyaura cross-couplings for aryl/heteroaryl diversification, and N/O-alkylations—subject to the actual structure.
Analytical support for synthesis:
LC–MS and 1H/13C NMR are standard for identity/purity checks; incorporate orthogonal purity assessment (qNMR or ELSD-HPLC) to detect nonchromophoric impurities.
For structure-specific synthetic guidance, consult the primary literature for AZD1656 or request the item’s structural documentation (CoA) from Aladdin.
Target Specificity
Target, isoform, and selectivity panel: Not specified for this item; refer to CoA/Spec Sheet or primary literature for AZD1656.
General literature context (non-item-specific):
AZD1656 is frequently referenced as a glucokinase activator chemotype in metabolism research. Binding mode, allosteric site mapping, and selectivity versus related hexokinases are study-dependent and can vary with assay format and protein construct.
Researchers should generate target-validation data in their own system (recombinant protein vs cell-based) and confirm on-target activity using orthogonal methods (enzyme kinetics, CETSA/DSF, genetic knockdown/overexpression). No claims of target specificity are made for this catalog item.
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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