GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.≥99%
LUF6096 (CF-602) is a potent allosteric enhancer of the adenosine A3 receptor, exhibiting the capability to enhance agonist binding allosterically while demonstrating low orthosteric affinity across adenosine receptors. It displays protective effects in myocardial ischemia/reperfusion injury.
LUF6096, a potent allosteric enhancer of the adenosine A3 receptor , is able to allosterically enhance agonist binding. LUF6096 shows low orthosteric affinity for any of the adenosine receptors. LUF6096 shows protective effects in myocardial ischemia/repe
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
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.
DMSO : 20 mg/mL (48.27 mM; ultrasonic and warming and heat to 60°C)
Molecular Weight
414.300 g/mol
XLogP3
6.600
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
413.106 Da
Monoisotopic Mass
413.106 Da
Topological Polar Surface Area
54.000 Ų
Heavy Atom Count
28
Formal Charge
0
Complexity
528.000
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
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Application Protocols
No item-specific, vendor-tested protocols are provided in the Product Data for LUF6096 (CF-602).
General guidance for small-molecule tool compounds (not item-specific):
Stock solution: Prepare 10–50 mM in DMSO. Record exact concentration gravimetrically. Store aliquots to avoid repeated freeze–thaw.
Dose–response setup: Serially dilute 1:3 or 1:2 in DMSO, then transfer into assay buffer to maintain constant final DMSO across wells (typically ≤1%).
Controls: Include vehicle control, positive control (if available), and counterscreens to assess assay interference.
Biochemical assays: Incubate with target protein under optimized conditions (time, temperature, cofactors). Measure activity via an orthogonal readout (e.g., fluorescence, absorbance, luminescence) to reduce artifact risk.
Cell-based assays: Confirm cell tolerance to DMSO; pre‑screen for cytotoxicity. Use low-bind plastics to reduce adsorption at low concentrations.
Data quality: Track Z′ factor, S/B, and CV%. Fit concentration–response with appropriate models (four-parameter logistic) and report replicate statistics.
Note: The above are generic best practices and are not validated for this specific item. Consult the CoA/SDS and primary literature for compound‑specific handling.
Biological Roles
Item-specific biological target, mechanism, and pathway annotations are not provided in the Product Data for LUF6096 (CF-602).
General context for small-molecule research ligands (not item-specific):
Such compounds are typically designed to modulate protein function (e.g., GPCRs, kinases, ion channels, enzymes) by binding orthosteric or allosteric sites, enabling interrogation of signaling pathways and phenotypes.
Utility spans biochemical inhibition/activation studies, cellular pathway mapping, and pharmacology profiling (potency, efficacy, and selectivity) under research-use-only conditions.
Structure–activity relationship (SAR) campaigns leverage chemical series to map ligand efficiency and physicochemical drivers of activity.
Experimental guidance:
Establish concentration–response curves across relevant assay modalities (biochemical, biophysical, and cell-based) to triangulate mechanism and rule out assay artifacts.
Apply chemoinformatics to relate this item to known actives by substructure or similarity (using the provided CAS/CID), verifying all conclusions with primary data.
Caveat:
No medical/clinical use is intended or implied. For pathway assignments and target claims, consult peer‑reviewed literature or supplier documentation specific to LUF6096.
Buffer Applications
This product is a small-molecule research ligand and is not itself a buffering agent. Therefore, conventional buffer system selection (e.g., phosphate, HEPES, Tris) is not directly applicable to the compound as a reagent.
Practical notes for assay buffers (general, not item-specific):
Choose buffers that maintain target stability and activity (e.g., HEPES or PBS at physiological pH for many protein assays).
Maintain consistent final organic co‑solvent content (e.g., ≤1% DMSO) across all assay wells.
Include carrier proteins (e.g., 0.01–0.1% BSA) or nonionic detergents (0.01–0.05% Tween‑20/Pluronic) if nonspecific adsorption or aggregation is observed.
Filter (0.22 µm) and degas buffers for sensitive biophysical techniques.
Item-specific buffer guidance: Not specified for this item; refer to CoA/Spec Sheet and assay development best practices.
Green Alternatives
Green chemistry considerations for small-molecule library handling generally center on solvent choice and waste minimization rather than on the compound itself.
Preferred stock solvent: DMSO is relatively low volatility and less hazardous than many dipolar aprotics (general guidance). Keep final DMSO concentration ≤1% in bioassays to balance performance and biocompatibility.
Alternatives to DMF/NMP: If strong solvation is needed, consider ethanol or aqueous co‑solvent systems before selecting DMF or NMP, which have greater health and environmental concerns.
Assay miniaturization: Use low-volume dispensing (acoustic or pin tools) to reduce solvent and compound consumption, lowering waste footprint.
Waste segregation: Maintain separate waste streams for halogenated vs non‑halogenated organics; avoid unnecessary dilution with water to streamline disposal.
Illustrative comparison (general, not item-specific):
Ethanol: Renewable feedstock; higher volatility; limited solvency for very hydrophobic compounds.
Acetonitrile: Useful analytically; consider toxicity and flammability; recover via solvent recycling when possible.
Practical tips:
Use amber vials and minimize headspace to extend compound life, reducing the need for re‑ordering and associated environmental impacts.
Plan orthogonal assays to confirm hits early, reducing resource-intensive follow-up on false positives.
Pharmaceutical Uses
The product is designated for research use only and is not intended for human or veterinary use, diagnostics, or as a medicinal product.
General formulation context for research compounds (not item-specific):
In preclinical discovery, small molecules may be formulated for in vitro or ex vivo studies using DMSO stock solutions diluted into aqueous media. For in vivo research (outside the scope of this listing), vehicles commonly include PEG-400, Captisol, or Tween-based systems; any such use must follow institutional approvals and is not specified here.
No pharmacopeial monograph or excipient designation is provided for this item.
Item-specific pharmaceutics:
Excipient status: Not specified for this item; refer to CoA/Spec Sheet.
Salt form/polymorph: Not specified for this item; refer to CoA/Spec Sheet.
Residual solvents/heavy metals/elemental impurities: Not specified for this item; refer to CoA/Spec Sheet.
Compliance reminder:
Research use only. Not for clinical, diagnostic, or GMP manufacturing applications. For any regulated use, obtain full quality and regulatory documentation and confirm suitability.
Physical Properties
Item-specific physico-chemical data are not provided in the Product Data. Do not treat the following placeholders as specifications.
Item-specific values:
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.
LogP, pKa: Not specified for this item; refer to CoA/Spec Sheet.
General/literature guidance for small-molecule library members (not specific to this item):
Stock solutions are commonly prepared in DMSO (10–50 mM), then diluted into assay buffers to final ≤1% DMSO to minimize solvent effects.
Many drug-like heteroaromatics show low aqueous solubility at neutral pH and may require co‑solvent (DMSO, ethanol) or pH adjustment if ionizable groups are present.
Hygroscopicity and polymorphism can influence handling and assay performance; confirm form and water content where critical.
Practical notes:
Perform a small-scale solubility screen (e.g., DMSO, DMF, ethanol, PBS, pH 2–9) prior to HTS or dose–response campaigns.
Filter sterilization of assay dilutions (0.22 µm) may be necessary for cell-based work, subject to compound stability.
For any method validation, obtain item-specific physical properties from the CoA/SDS.
Quality and Grades
Grade designation (item-specific): Moligand™.
What Moligand™ implies (general description of grade):
Intended for research screening and probe development. Emphasis is typically on identity confirmation and assay utility rather than on ultra-trace impurity control required for GMP or clinical manufacturing.
Batch documentation normally includes structure confirmation by spectroscopic methods and a stated purity threshold appropriate for discovery biology (exact purity for this item is not provided here).
Item-specific quality details:
Purity/assay: Not specified for this item; refer to CoA/Spec Sheet.
Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet.
Residual solvents, inorganic impurities, elemental analysis: Not specified for this item; refer to CoA/Spec Sheet.
Practical implications for users:
Suitable for target validation, SAR, and phenotypic screening in academic/industrial discovery settings.
For LC/UV or MS‑based assays, verify background absorbance/ionization behavior; Moligand compounds are generally compatible with standard bioassay readouts.
If your application requires defined polymorph, salt form, water content, or low metal/peroxide levels, request the lot‑specific CoA. Do not assume specifications beyond what is documented.
Regulatory status:
Research use only; not for diagnostic, therapeutic, or GMP use.
Reaction and Applications
This product is supplied as a research tool compound within a small-molecule library and is not primarily intended as a synthetic reagent.
Applications (item context):
Research use only (per Product Data). Typical uses include target identification/validation, mechanism interrogation, and SAR studies in discovery biology.
Assay deployment in biochemical and cell-based formats for potency and selectivity profiling (exact biological target for this item not provided; verify with literature or CoA before study design).
General considerations for screening compounds (not item-specific):
Prepare DMSO stocks at accurately known concentration using gravimetric or spectrophotometric methods where applicable.
Evaluate adsorption and plastic interactions (e.g., use low-bind tubes/plates) to improve reproducibility at low nanomolar dosing.
Include solvent-matched controls and counterscreens to detect assay interference (fluorescence quenchers, redox cyclers, aggregators).
Analytical support:
Confirm identity and purity by LC–MS and HPLC prior to critical experiments; monitor for degradation during storage and after repeated freeze–thaw.
For kinetic/biophysical assays (SPR, MST, ITC), ensure buffer compatibility and remove particulates via 0.22 µm filtration; dialyze or desalinate if salt/adducts are present in the lot.
Note: If using in chemistry workflows (e.g., as a reference standard), verify stability under intended reaction/analysis conditions; the Product Data do not specify functional groups or reactivity.
Reaction Conditions
Not typically applicable. LUF6096 (CF-602) is supplied as a research ligand for screening rather than as a reagent for chemical synthesis.
If employing this compound in analytical or bioassay workflows (general, not item-specific):
Stock preparation: Dissolve in anhydrous DMSO to a defined concentration (e.g., 10–50 mM), vortex/sonicate briefly, and verify clarity.
Assay dilution: Add to buffers to achieve desired final concentrations while keeping DMSO ≤1% v/v unless assay tolerates more.
Stability checks: Monitor by LC–MS/HPLC over time at storage and working temperatures; avoid extended exposure to elevated temperatures or light unless stability is documented.
No item-specific reaction solvents, temperatures, catalysts, or yields are provided in the Product Data.
Safety and Handling
Authoritative safety information must be taken from the SDS. The Product Data provided do not include GHS details.
GHS/label information (item-specific):
Signal word: Not specified for this item; refer to SDS.
Hazard statements (H-): Not specified for this item; refer to SDS.
Pictograms: Not specified for this item; refer to SDS.
GHS classification: Not specified for this item; refer to SDS.
General laboratory precautions for small organic research compounds (not item-specific):
PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Handle in a fume hood to avoid inhalation of dusts/aerosols.
Avoid skin/eye contact and inhalation. Prevent ingestion; do not pipette by mouth.
Incompatibilities: Strong oxidizers and strong acids/bases may induce decomposition; avoid reactive metal contact if compound contains halogens or acidic functionalities.
First aid (overview): In case of contact, rinse affected area with water for ≥15 min; remove contaminated clothing. If inhaled, move to fresh air. Seek medical attention if symptoms persist. Refer to SDS for specifics.
Spill/accident: Contain solids with inert absorbent, avoid dust generation, and dispose of as organic laboratory waste per institutional and local regulations.
Waste: Collect in halogenated or non‑halogenated organic waste streams as appropriate based on SDS guidance.
Storage per Product Data:
Store at 2–8°C. Protect from light and moisture where feasible. Keep container tightly closed.
Shipped on wet ice; allow to equilibrate to room temperature in sealed container to minimize condensation before opening.
Solvent Selection
Item-specific solubility is not provided. The following guidance reflects common practice for small-molecule library compounds and should be verified experimentally for this item.
Polarity class (item): Not specified for this item; refer to CoA/Spec Sheet.
Recommended primary solvent (general): DMSO is the default solvent for preparing concentrated stocks (e.g., 10–50 mM), owing to broad solvating power and assay compatibility at ≤1% v/v.
Alternative co-solvents (general): DMF, ethanol (anhydrous), or acetonitrile may be used if DMSO is unsuitable for a particular assay modality.
Aqueous media: Direct dissolution in water/PBS is often limited for hydrophobic, heteroaromatic ligands; aqueous solubility can sometimes be improved by pH adjustment if ionizable groups exist (unknown for this item).
Small comparison (general, not item-specific):
DMSO: Highest solvency; widely biocompatible at ≤1%.
Ethanol: Volatile; acceptable up to ~0.5–1% in many cell assays.
DMF: Strong solvent; consider cytotoxicity and residual levels.
Acetonitrile: Useful for analytical work; limited cell assay compatibility.
Practical tips:
Perform a mini solubility screen (DMSO, DMF, EtOH) and monitor clarity upon aqueous dilution.
Warm (≤40°C) and sonicate briefly to aid dissolution; avoid prolonged heating that may cause decomposition.
Filter stock (0.22 µm PTFE) if particulate persists and compound stability permits.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Recommended diluent/solvent: Not specified for this item; refer to CoA/Spec Sheet.
General guidance for small-molecule library compounds (not item-specific):
Reconstitution: Dissolve in dry DMSO to prepare concentrated stocks (e.g., 10–50 mM). Vortex, brief sonication, or gentle warming (≤40°C) may aid dissolution. Verify clarity.
Aliquoting: Dispense into amber, low-bind vials or plates to minimize adsorption and photodegradation. Minimize headspace.
Short-term storage: 2–8°C per Product Data for unopened containers. For DMSO stocks, many labs store at −20°C to −80°C; confirm compound stability before long-term storage.
Freeze–thaw: Avoid repeated cycles by aliquoting. Allow solutions to equilibrate to room temperature before opening to prevent moisture ingress/condensation.
Light/moisture: Protect from light and humidity unless stability data indicate tolerance.
Always consult the lot-specific CoA and SDS for definitive instructions on storage, stability, and reconstitution for LUF6096 (CF-602).
Structure and Identity
Brief overview: LUF6096 (CF-602) is listed in our Moligand small‑molecule library. Item‑specific structural identifiers are largely not provided in the Product Data.
SKU: L649241
Product Name: LUF6096 (CF-602)
CAS: 1116652-18-6 (item-specific)
PubChem CID: 25191023 (item-specific)
InChIKey: 370755 (item-specific; formatted 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 (general/literature context):
“LUF” prefixed ligands in the literature commonly denote small heteroaromatic, drug‑like tool compounds designed for receptor/enzyme modulation. Exact functional groups and ring systems for LUF6096 are not specified here.
2D description (item): Not specified; no stereochemistry or ring topology provided in the Product Data.
Notes:
Where exact identifiers (SMILES, formula, MW) are required for method development or registration, consult the CoA/Spec Sheet or the primary database record associated with the CAS or CID above. All structure‑dependent calculations should be verified against the definitive structure prior to experimental use.
Synthetic Utility
This listing is for a finished research ligand supplied for screening and biological study; it is not positioned as a synthetic building block or reagent.
Item-specific reactivity or functional groups: Not specified for this item; refer to CoA/Spec Sheet.
General notes (not item-specific):
Without confirmed functional groups, one should not assume compatibility with common transformations (e.g., cross-couplings, nucleophilic substitutions, amide couplings).
If repurposed as a reference standard in analytical method development, verify stability against hydrolysis/oxidation and light exposure; establish impurity profiles by LC–MS.
For medicinal chemistry derivatization, obtain the exact structure and assess synthetic handles, if any (e.g., aryl halide, aniline, carboxylate). Parallel synthesis may be planned only after structural verification.
Recommendation:
Treat this compound as a terminal tool molecule. For synthetic elaboration or linker installation, consult the structure (via CoA or databases keyed to the provided CAS/CID) to identify feasible vectors and required protections.
Target Specificity
Item-specific biological target information is not provided in the Product Data for LUF6096 (CF-602).
Target/Pathway: Not specified for this item; refer to CoA/Spec Sheet and primary literature.
Species reactivity/ortholog data: Not specified for this item; refer to CoA/Spec Sheet.
Assay-validated modality (agonist/antagonist/inhibitor/allosteric modulator): Not specified for this item; refer to CoA/Spec Sheet.
Guidance:
Use the provided CAS (1116652-18-6) and CID (25191023) to retrieve peer‑reviewed target annotations if needed.
Independently confirm target engagement in your system via orthogonal assays before drawing mechanistic conclusions.
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.
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