KF26777 - Moligand™ , Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor, CAS No.206129-88-6, Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor
KF26777 - Moligand™ , Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor, CAS No.206129-88-6, Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor
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 phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
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
Item-specific tested applications are not provided. The following are general protocols for small-molecule screening compounds (not item-specific):
Stock preparation
Weigh compound quickly to minimize ambient moisture exposure.
Dissolve in anhydrous DMSO to 10–100 mM. Employ sonication and mild heating (<40 °C) as needed. Record exact concentration by gravimetry or by UV if an extinction coefficient is known.
Filter through 0.2 μm PTFE if particulate persists and chemistry is compatible.
Aliquoting and storage
Dispense single-use aliquots (10–50 μL) in low-bind tubes/plates to limit freeze–thaw. Seal with heat seals or high-quality cap mats; backfill with dry nitrogen if feasible.
Assay dilution
Deliver to assay at constant final DMSO (typically 0.1–1% v/v). Mix thoroughly to avoid edge effects; verify absence of precipitation visually or by light scattering.
Controls and QC
Include vehicle controls and a reference inhibitor/ligand if available. Run PAINS/aggregation counterscreens (detergent sensitivity, redox activity) to de-risk artifacts.
Stability checks
Re-test a representative aliquot by LC–MS after storage to confirm integrity prior to large screens.
Biological Roles
Item-specific biological function, targets, and pathways are not provided for KF26777.
General considerations (not item-specific; no medical/clinical claims):
In screening libraries, small molecules may act as enzyme modulators, receptor ligands, or chemical probes. Actual biological role and specificity must be determined empirically for each assay.
Prior to biological testing, confirm identity and purity, assess aggregate formation (e.g., by detergent sensitivity or DLS), and evaluate fluorescence/absorbance interference to avoid assay artifacts.
For mechanism-of-action studies, consider orthogonal assays and counter-screens to differentiate true target engagement from redox cycling, PAINS motifs, or nonspecific reactivity.
Report and track salt form and stereochemistry (if any), as these influence potency, permeability, and solubility.
Buffer Applications
Not typically applicable as a buffer component. KF26777 is offered as a small-molecule compound for research/screening, not as a buffering agent.
Practical notes (general, not item-specific):
When preparing assay buffers that will receive compound stocks, standardize DMSO content across wells (commonly 0.1–1% v/v) to mitigate solvent effects.
Select buffers with minimal UV background and limited metal contamination when biophysical readouts (UV–Vis, ITC, SPR) or metalloproteins are involved. Common choices include HEPES (pH 7.0–7.5), phosphate (pH 6.5–7.8), or acetate (pH 4–5.5), depending on assay needs.
Green Alternatives
This section typically compares the product to greener substitutes (e.g., alternative solvents or reagents). For an unspecified small-molecule screening compound, there is no direct “green alternative” to the substance itself.
General greener-practice guidance (not item-specific):
Prefer greener solvents (water, EtOAc, MeOH, 2-MeTHF, CPME) over chlorinated/hazardous solvents for any manipulations or synthetic modifications, subject to the compound’s solubility and stability.
Use microscale operations and miniaturized HTS/assays to reduce material and solvent consumption.
Implement closed, sealed plate systems to minimize VOC emissions; adopt automated low-dead-volume liquid handling.
Optimize storage to extend compound lifetime (dry atmosphere, controlled temperature, light protection as needed) to reduce resynthesis/reordering footprint.
Dispose of waste through approved routes; segregate halogenated from non-halogenated streams to facilitate recovery where possible.
Pharmaceutical Uses
No item-specific pharmacopeial status, excipient role, or formulation use is provided for KF26777.
General context (not item-specific; no therapeutic claims):
Compounds in discovery libraries are commonly used in early research only. They are not intended for human or veterinary use, clinical diagnostics, or as drug substances/excipients.
If transitioning a research compound into pre-formulation studies, establish definitive identity, purity profile (including residual solvents, inorganics), solid-state form, and stability indicating methods. Any GMP-relevant considerations require a different supply chain and documentation than research grade.
Physical Properties
Item-specific physical 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.
pKa/logP/logD: Not specified for this item; refer to CoA/Spec Sheet.
General guidance (literature/practice, not item-specific)
For small-molecule screening compounds of unknown polarity, initial solubility screening typically includes DMSO (100 mM target stocks), followed by MeOH, ACN, and aqueous buffers with co-solvent as needed.
Where the solid form is unknown (amorphous vs crystalline salt/free base), determine hygroscopicity and potential polymorphism by TGA/DSC before large-scale solution prep.
Conduct a quick UV–Vis scan (200–400 nm) in an appropriate solvent to set assay detection windows and evaluate potential inner-filter effects.
Specific purity, residual solvents, and analytical release criteria: Not specified for this item; refer to CoA/Spec Sheet.
What Moligand™ typically implies (general guidance, not item-specific)
Intended for small-molecule discovery workflows (target screening, cheminformatics, SAR initiation).
Lots are commonly qualified by identity (e.g., LC–MS/HRMS, 1H NMR) and purity by chromatographic methods. Exact test suites and thresholds vary by supplier—verify on the CoA for this SKU/lot.
Recommendations for users
Upon receipt, perform a quick check (LC–MS at two wavelengths, plus evaporative detection if available) to verify identity/purity against the CoA.
Record water content (Karl Fischer) if hygroscopicity is suspected; document salt form and counterion content by elemental/ion chromatography where relevant.
For HTS, standardize to internal acceptance criteria (e.g., minimum purity by area %, absence of critical alerts like nitroso impurities) consistent with your screening cascade—use your own thresholds; do not assume without the CoA.
Reaction and Applications
Item-specific applications
Manufacturer Applications: Not specified for this item; refer to CoA/Spec Sheet.
General applications for Moligand™-grade small molecules (not item-specific)
Primary/secondary screening in biochemical or cell-based assays to probe target classes (enzymes, GPCRs, ion channels) and seed SAR.
Chemical biology: Phenotypic screening, target deconvolution workflows (e.g., thermal shift, CETSA, chemoproteomics) once compatible handles are present.
Reference standards or spike-in controls for analytical method development, where identity is verified.
Notes for use
Plate management: Use barcoded, inert, low-binding plates; track freeze–thaw cycles as compound integrity may diminish with repeated thaws.
Analytical confirmation: Periodically re-assay a subset by LC–MS to detect degradation (hydrolysis, oxidation) during campaign timelines.
If intended as a synthetic intermediate, structural data are required to plan transformations; obtain SMILES/InChI and assess functional group compatibility before use in reactions.
Reaction Conditions
No item-specific reactivity data or preferred conditions are available for KF26777.
General guidance when handling unknown small molecules (not item-specific):
Avoid strong acids/bases and high temperatures until stability is confirmed. Conduct preliminary stability tests (pH 2/7.4/9; 25–60 °C) by LC–MS to flag hydrolysis/oxidation.
If derivatization or immobilization is planned, start with mild conditions (e.g., EDC/NHS coupling for carboxylate-bearing species, carbonate activation for alcohols) only after confirming functional groups by spectroscopy.
Photostability: If chromophores are suspected, protect from light during prolonged handling; evaluate by UV–Vis before photochemical steps.
Safety and Handling
GHS and hazard statements (item-specific)
Signal word: Not specified for this item; refer to SDS.
H-statements: Not specified for this item; refer to SDS.
GHS classification/pictograms: Not specified for this item; refer to SDS.
General laboratory precautions (not item-specific; follow SDS as primary source)
Handle as a potentially hazardous small molecule. Avoid inhalation, ingestion, skin/eye contact. Use standard PPE: lab coat, nitrile gloves, safety glasses; upgrade to splash goggles if aerosol/mist possible.
Work in a chemical fume hood during weighing, dissolution, or when heating/sonicating solutions.
Incompatibilities: Unknown for this item. Until specified, avoid strong oxidizers/reductants, strong acids/bases, and reactive metals. Segregate from food and incompatible chemicals.
First aid (general): Skin/eye contact—rinse with water for ≥15 min; remove contaminated clothing. Inhalation—move to fresh air. Ingestion—rinse mouth, seek medical advice. Provide SDS to responders.
Spill response: Small spills—absorb with inert material (silica/vermiculite), collect in a sealable container for disposal. Prevent dust formation if solid; de-energize ignition sources if solvent present.
Waste: Dispose via licensed chemical waste contractor according to local regulations; do not release to drains.
Always consult the product-specific SDS for authoritative hazard, exposure limits, and emergency procedures.
Solvent Selection
Item-specific solvent data
Solubility and preferred solvents: Not specified for this item; refer to CoA/Spec Sheet.
General strategy for small-molecule screening compounds (not item-specific)
Stock solution preparation: Start with anhydrous DMSO to 10–100 mM, using sonication and gentle warming (<40 °C) if needed. Filter (0.2 μm PTFE) for particulate removal when compatible.
Solubility screening panel: DMSO, DMF, MeOH, ACN, isopropanol; then buffered aqueous with 1–5% DMSO or surfactant (0.01–0.05% Tween-20) if assay-compatible.
Avoid adsorption losses: Use low-bind polypropylene tubes/plates; precondition tips and wells with 0.1% DMSO or 0.01% Tween-20 when allowed by assay.
If the counterion/salt form is unknown, assess pH-dependent solubility (shake-flask at pH 2, 7.4, 9) to guide buffer choice.
Comparison (general)
DMSO: Maximizes solubility and chemical stability; may affect biological assays at >0.5–1% v/v.
MeOH/ACN: Lower viscosity, easier pipetting; volatility can cause concentration drift—seal plates promptly.
Aqueous buffers: Prefer for final assay delivery; back-calculate to maintain constant DMSO across wells.
Storage and Reconstitution
Item-specific
Storage conditions: Room temperature (as provided). For extended stability, many users store small-molecule DMSO stocks at −20 to −80 °C; confirm compatibility once stability data are available for this item.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
General guidance (not item-specific)
Solid form: Store tightly capped in a desiccator under inert atmosphere (dry N2/Ar) away from light until first use. Equilibrate to room temperature before opening to avoid moisture condensation.
Reconstitution: Prepare concentrated stock in anhydrous DMSO. If aqueous reconstitution is required, add stock slowly into vigorously stirred buffer to target concentration while maintaining constant DMSO; confirm solubility and absence of precipitate.
Freeze–thaw: Minimize cycles by preparing single-use aliquots. Track thaw count in inventory systems.
Stability monitoring: Periodically assess by LC–MS/UPLC for degradation; check visual appearance (color change, precipitate) and assay performance drift over time.
Research Use Only: For laboratory research use; not for human or veterinary applications.
Structure and Identity
Item-specific (from Product Data)
SKU: K611332
Product Name: KF26777
CAS: 206129-88-6
PubChem CID: 135409562
InChIKey: 264211 (as provided; note: atypical format for an InChIKey)
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.
Grade: Moligand™
Structural features (descriptive)
2D/3D structure, functional groups, ring systems, and stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.
Identity notes
Without a structure (SMILES/InChI) and formula, definitive structural commentary is not possible for this listing. For unambiguous identification, consult the item’s CoA/SDS or structure file from the supplier. If using in screening collections, register by CAS and internal lot ID and confirm by LC–MS or NMR upon receipt.
Synthetic Utility
Item-specific functional groups and reactivity are not provided; thus, synthetic roles cannot be assigned for KF26777 without its structure.
General considerations (not item-specific):
If structural information becomes available, map functional handles (e.g., aryl halides, boronates, carbonyls, amines) to typical transformations (cross-coupling, reductive amination, acylation, cycloadditions) for analogue generation.
For probe development, consider installing linkers or photoaffinity/biotin tags at metabolically tolerant positions guided by SAR.
Ensure compatibility of any planned reaction conditions with existing sensitive motifs (nitro, diazo, peroxide-prone moieties) after structural elucidation.
Target Specificity
Target/antigen specificity, epitope, species reactivity, clone, or isotype are not applicable to this product type and are not provided. KF26777 is a small-molecule research compound, not an antibody or biologic reagent.
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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