This compound belongs to the class of organic compounds known as naphthofurans. These are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
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.
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare
266.330 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
266.152 Da
Monoisotopic Mass
266.152 Da
Topological Polar Surface Area
66.800 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
465.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
4
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
Calcolatori di soluzioni
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Recensioni
Recensioni dei clienti
Application Protocols
Item-specific (from Product Data)
No validated protocols are provided for this item.
General guidance for screening use
Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM where soluble. Vortex and sonicate briefly; warm gently if needed. Filter 0.22 µm if particulate persists.
Working solutions: Dilute into assay buffer to the desired concentration ensuring final DMSO ≤0.5% v/v (or per assay tolerance). Pre-check for precipitation by visual/turbidity and test well controls.
Plate handling: Use low-binding polypropylene plates for hydrophobic compounds. Seal plates to minimize evaporation; equilibrate to assay temperature before starting.
Data integrity: Include vehicle controls, positive/negative controls, and, where relevant, detergent controls (0.01–0.05% Tween-20/NP-40) to identify aggregation-based artifacts.
Stability: Avoid repeated freeze–thaw of DMSO stocks; aliquot upon initial preparation.
Biological Roles
Item-specific (from Product Data)
No biological role or target information is provided for this item. Research use only.
General notes
For small molecules in screening libraries, any biological role is empirical and determined by assay. Without structural and target information, no assertions can be made regarding mechanistic pathways, metabolism, or selectivity.
If a structure becomes available, in silico predictions (physicochemical properties, ADME flags) can guide assay design, but these remain hypothetical until verified experimentally.
Best practice: implement orthogonal assays to confirm activity and rule out artifacts (fluorescence interference, redox cycling, colloidal aggregation, and covalent promiscuity). Record full assay context (buffer, pH, co-factors, DMSO %) to enable reproducibility and cross-study comparison.
Buffer Applications
Applicability
Buffer formulation guidance is not typically applicable to an undefined small-molecule library member. No buffering capacity or acid/base constants are provided for this item.
General guidance
When preparing assay media that include small-molecule stocks, select a buffer compatible with the biological target (e.g., PBS pH 7.2–7.4, HEPES pH 7.2–7.6, Tris pH 7.4–8.0) and ensure the compound remains in solution at working concentrations with ≤0.5% DMSO.
If the compound is ionizable (unknown here), buffer pH near ±1 unit of the pKa can strongly affect solubility and target engagement; determine pKa experimentally or via computation when the structure is available.
Green Alternatives
Applicability
Specific green-chemistry alternatives cannot be assigned without structural identity or a defined solvent/reagent role for this compound.
General guidance
If Fuegin is used as a test article in screening, green considerations focus on solvent selection and waste minimization rather than replacing the compound itself.
Comparison of common solvent choices (general)
DMSO vs. 2-MeTHF/CPME: DMSO is preferred for stock solutions due to solvency and assay compatibility; 2-MeTHF/CPME are greener ethers but are typically not used for biological stock solutions. For synthetic manipulations (if relevant), 2-MeTHF/CPME can replace THF/Et2O in many cases, reducing peroxide risk and improving lifecycle metrics.
MeOH/EtOH vs. ACN: Ethanol is a greener alternative to acetonitrile for some analytical and preparative workflows, though volatility and chromatographic selectivity differ.
Operational greening tips
Miniaturize assays (384/1536-well) to reduce solvent consumption.
Use aqueous buffers with minimal co-solvent, validate lowest effective DMSO percentage.
Consolidate waste streams and employ microscale purification where feasible.
Pharmaceutical Uses
Applicability
No pharmacopeial status, excipient role, or formulation use is specified for this item. Research use only; not for human or veterinary use.
General notes
In discovery settings, small molecules may be evaluated for developability attributes (solubility, stability, permeability) but such evaluations are context-specific and beyond the scope of this listing.
If formulation studies are undertaken for preclinical research, consider early salt/cocrystal screening (if ionizable), solid-state characterization (XRPD, DSC), and basic enabling formulations (lipid-based systems, nanosuspensions)—all contingent on having an established chemical structure and purity profile.
Physical Properties
Item-specific (from 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.
Computed/Literature (not available for this listing)
Melting point (MP): Not specified for this item.
Boiling point (BP): Not specified for this item.
Density: Not specified for this item.
Refractive index: Not specified for this item.
LogP/logD, pKa, solubility profile: Not specified for this item.
General chemistry guidance
Small-molecule library members are commonly supplied as solids (crystalline or amorphous) or as DMSO stock solutions. In absence of structure-specific data, plan for a solubility screen in common solvents (e.g., DMSO, DMF, MeOH, acetonitrile, PBS with co-solvent) and confirm by visual inspection and HPLC/UPLC.
If hygroscopicity or polymorphism is a concern, determine by Karl Fischer moisture and DSC/TGA, respectively, using a small aliquot. Record the observed MP range if the material is solid; this helps with identity checks and batch-to-batch comparability.
For UV detection in analytical HPLC, perform a quick scan (200–400 nm) of a fresh solution to determine λmax and assess purity by diode array. This is particularly useful when no UV cutoff data are specified.
Quality and Grades
Item-specific (from Product Data)
Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
General guidance on grades and quality attributes
Screening/library compounds are typically supplied with a purity target suitable for discovery workflows (often ≥95% by HPLC/UPLC/LC-MS), but the definitive specification is batch-dependent. Verify: analytical method, wavelength, and reporting basis (area% vs. weight%).
Identity confirmation may include LC-MS (m/z), 1H NMR, and, where applicable, HRMS and 13C NMR. If chirality is involved, ask for e.r./d.r. and method (chiral HPLC).
Residual solvents, water content, and salt form can affect assay readouts. If not specified, determine by KF (water), GC-HS (residual solvents), and weighback vs. theoretical to confirm salt content.
Stabilizers/inhibitors: Not specified for this item. If stabilization is relevant (e.g., for aldehydes, acrylates, nitroso compounds), this will appear on the CoA; absence of notation should not be construed as absence of need—validate stability in your matrix.
Documentation: Request the current CoA/Spec Sheet for the exact lot you will receive for formal release into GLP/GMP-adjacent workflows (research use only).
Reaction and Applications
Item-specific (from Product Data)
Manufacturer applications: Not specified for this item beyond inclusion in a small-molecule/compound library. Research use only.
General applications for library compounds
Biochemical and cell-based screening: Use as a test article in target-based or phenotypic assays to probe activity space. Establish dose–response curves starting from 10–50 mM DMSO stocks; typical assay-top DMSO ≤0.5% v/v.
Reference standard/analytical control: If a structure is available, develop a validated LC/LC-MS method for retention time and purity tracking in multiplex screens.
Mechanistic chemistry: Where functional groups are known, derivatives can be used as SAR analogs; however, for this item, no such functional information is disclosed.
Practical considerations
Confirm solubility and stability in your assay buffer prior to screening. Perform freeze–thaw stability (e.g., 3 cycles) if stocks are to be reused. Use inert atmosphere storage for oxidation-sensitive motifs (if identified by LC-MS over time).
If the compound contains potential reactive moieties (Michael acceptors, aldehydes, isothiocyanates), include counter-screens to deconvolute assay interference (thiol reactivity, redox cycling, PAINS filters). Without structure data, pre-screen with colloidal aggregation assay (detergent-sensitive) and UV–vis for redox activity.
Reaction Conditions
Applicability
Not applicable for this item as a generic small-molecule library compound with no disclosed structure or role as reagent.
General notes (if used in synthesis or derivatization after structure disclosure)
Select solvents and bases/acids according to the functional groups present. For example, aryl halide cross-couplings (Pd-catalyzed) commonly use toluene/DMF/DMAc with inorganic bases; carbonyl chemistry may leverage EtOH/MeOH or aprotic polar solvents.
Typical temperatures range from 0 °C (for sensitive additions) to 120 °C (sealed-vessel couplings). Reaction times vary from minutes (microwave) to hours. Always verify thermal stability and monitor by TLC/UPLC.
Purification: Plan for flash chromatography or preparative HPLC based on polarity and UV response once the structure is known.
Safety and Handling
Item-specific (from Product Data)
Storage conditions: Room temperature.
GHS signal word / hazard statements / pictograms / classification: Not specified for this item; refer to SDS.
General safety guidance (defer to SDS for authoritative data)
Handle small molecules of unknown hazard as if harmful upon contact, ingestion, or inhalation. Use standard laboratory PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Work in a certified chemical fume hood when weighing, dissolving, or transferring powders/solutions.
Avoid generating dust or aerosols. Keep containers tightly closed. Prevent contact with oxidizers, strong acids/bases, and reactive metals unless compatibility is known.
First aid (general): If inhaled—move to fresh air; seek medical attention if symptoms occur. Skin contact—wash with soap and water. Eye contact—rinse cautiously with water for several minutes and remove contact lenses if present; seek medical advice. Ingestion—rinse mouth; do not induce vomiting unless directed by medical personnel.
Spill/cleanup: Contain solids with damp disposable towels/absorbent; for solutions, absorb with inert material. Dispose as organic chemical waste per institutional and local regulations.
Fire safety: Many organics are combustible; use CO2, dry chemical, or foam extinguishers. Avoid water jets on solvent fires.
Always consult the product SDS and your institution’s risk assessment before use.
Solvent Selection
Item-specific (from Product Data)
No solvent recommendations are specified for this item; refer to CoA/Spec Sheet.
General solvent strategy for small-molecule screening compounds
Primary stock solvent: DMSO (anhydrous, ≥99.9%) is the default due to broad solvency and assay compatibility at 0.1–1% v/v. Prepare 10–50 mM stocks when solubility allows.
Alternative solvents: DMF, acetonitrile, methanol, ethanol; for hydrophobic molecules, consider co-solvent systems (DMSO + PEG400; DMSO + Tween-80 at low %; or cyclodextrin inclusion for aqueous delivery).
Aqueous work: Use buffered saline (e.g., PBS, HEPES) with ≤1% DMSO or MeOH as co-solvent; confirm absence of precipitation upon dilution. Filter through 0.22 µm if needed.
Dielectric/polarity considerations: Without structural data, begin with a polarity gradient screen—DMSO (highly polar, protophilic), MeOH/EtOH (protic), ACN (polar aprotic), and EtOAc/MTBE (medium polarity) to map solubility.
Practical tips: Warm gently (≤40 °C) and sonicate to aid dissolution; avoid prolonged heating of unknowns. Document solvent lot, water content, and any observed color change to track stability.
Storage and Reconstitution
Item-specific (from Product Data)
Recommended storage: Room temperature.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
General best practices
Solid material: Store tightly closed in original container, desiccated, protected from light. If hygroscopicity/oxidation is suspected, consider inert-atmosphere storage (dry N2/Ar) and inclusion of desiccant.
DMSO or solvent stocks: Prepare single-use aliquots (e.g., 50–200 µL) to avoid freeze–thaw cycles. Store DMSO stocks at −20 °C to −80 °C, protected from light. Allow to thaw at room temperature, vortex to homogeneity, and inspect for precipitate before use.
Aqueous solutions: Use freshly prepared solutions when possible; many small molecules degrade faster in water. If storage is necessary, keep at 2–8 °C and assess stability by LC/LC-MS.
Labeling: Record concentration, solvent, preparation date, and lot number on all aliquots for traceability.
Research use only: Not for human or veterinary use.
Structure and Identity
Item-specific (from Product Data)
Product name: Fuegin (SKU: F942118)
CAS: 6750-10-3
InChIKey: 81181 (as provided)
Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
SMILES: Not specified for this item; refer to CoA/Spec Sheet.
Computed/Literature (general guidance)
Without a defined structure (SMILES/InChI), no computed identifiers (exact mass, cLogP, PSA) can be reported.
General chemistry notes
Fuegin is listed under small-molecule/compound library offerings. In this context, compounds are typically discrete organic molecules supplied for screening or reference use. Structural features, functional groups, and stereochemistry cannot be described without a verified structural record. If you require structure-confirming identifiers (SMILES, InChI, InChIKey, MF, MW), please request the current CoA/Specification or structure disclosure, where available under your screening agreement.
Synthetic Utility
Applicability
Without a disclosed structure or functional group information, Fuegin cannot be positioned as a synthetic reagent, building block, or intermediate with defined reactivity.
General considerations
If the compound’s structure is later provided, synthetic utility can be assessed in terms of:
Functional group interconversions (FGI) available.
Cross-coupling handles (aryl halides/boronates) for diversification.
Protecting group strategies if polyfunctional.
Stereochemical relay or chiral pool derivation where relevant.
For library work, synthetic utility is usually secondary to its role as a screening hit/standard. Derivatization pathways (SAR expansion) would then be mapped based on the parent scaffold’s handles.
Target Specificity
Item-specific (from Product Data)
No target, enzyme, receptor, or pathway specificity is provided for this item.
Note
As a library small molecule with undisclosed structure, no target specificity can be asserted. Determine experimentally through biochemical/biophysical profiling where appropriate.
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