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 2-nitrothiophenes. These are aromatic heterocyclic compound containing a nitro group attached to a thiophene ring a the 2-position.
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
No manufacturer-validated biological assay protocols are provided for this item. As a Moligand™ small molecule, typical application modes include preparation of DMSO stocks for high-throughput screening, biochemical assays, cell-based phenotypic assays, and analytical reference use.
General protocol template (guidance only):
Stock preparation: Dissolve compound in anhydrous DMSO to 10–50 mM. Vortex and, if needed, briefly sonicate under subdued light. Optionally filter (0.22 µm PTFE).
Working dilutions: Prepare serial dilutions in DMSO (e.g., 10-point 1:3 or 1:2). Transfer to assay buffer or media to reach final DMSO ≤1–2% v/v. Mix thoroughly to avoid precipitation.
Controls: Include vehicle controls matching the highest DMSO percentage. Add orthogonal counterscreens to identify redox or assay-interference artifacts common to nitroaromatics.
Storage of plates/stocks: Keep on ice or at room temperature protected from light during use; for longer storage, aliquot and freeze at −20 °C to limit freeze–thaw cycles.
For chromatographic/analytical use:
Prepare standards in acetonitrile or methanol with 0.1% formic acid as needed; validate linearity and stability over the analytical run.
Always tailor conditions to your assay and consult the CoA/Spec Sheet for any item-specific recommendations.
Biological Roles
This product is provided strictly for research use. No medical or clinical claims are made. The following context summarizes general, literature-based features of nitrofuran-class small molecules like nifurzide that may be relevant for chemical biology.
Chemotype context: Nitrofuran-containing compounds are prototypical redox-active heteroaromatics. Their nitro group can undergo enzymatic or chemical bioreduction, generating reactive intermediates in some systems. This underlies common use as probe candidates in redox biology and stress-response pathways.
Interaction potential: Conjugated nitrofuran scaffolds present multiple hydrogen-bond acceptors and polarizable π-surfaces, enabling interactions with enzyme active sites or allosteric pockets. Substituent patterns tune polarity and ligand efficiency.
Permeability considerations: Many nitroheteroaromatics display moderate-to-high membrane permeability when unionized, aiding cellular uptake in phenotypic assays; actual permeability/logD must be determined experimentally for this specific item.
Assay deployment: Typical research deployments include target identification campaigns (chemoproteomics when derivatized), phenotypic screening, and structure–activity relationship (SAR) exploration around the nitrofuran core.
Caveats:
Potential for off-target redox effects and assay interference (e.g., in ROS- or thiol-sensitive readouts). Include orthogonal counterscreens and evaluate redox cycling.
Confirm chemical stability in the selected medium and during assay timelines; degradation can confound biological readouts.
For definitive, item-specific biological behavior, generate empirical data under your assay conditions.
Buffer Applications
Nifurzide is not a buffering reagent and is not used to control pH. Accordingly, there are no standard buffer recipes or pH ranges associated with this compound.
Practical guidance for use in buffered systems (general):
Prepare a concentrated DMSO stock and dilute into the chosen biological buffer (e.g., PBS, HEPES, Tris) with the final DMSO content typically kept ≤1–2% v/v.
Verify solubility after dilution; inspect for precipitation and, if needed, add surfactant (e.g., 0.01–0.1% Tween-80) or slightly increase DMSO, subject to assay tolerance.
Avoid strong basic buffers if the scaffold contains base-labile linkages (common in conjugated imine/amide systems); neutral buffers are generally preferred.
For work requiring precise pH control, select an appropriate dedicated buffer system from standard biological buffers and validate compound stability at the intended pH.
Green Alternatives
This product is a discrete small-molecule ligand; greener considerations focus on solvent and process choices during handling, formulation, and any derivative synthesis rather than on “replacing” the compound itself.
Greener solvent choices for dissolution and analysis (general):
Prefer water with low percentages of DMSO where feasible; limit DMSO to the minimum required for solubility.
Where organic mobile phases are required (e.g., LC), consider ethanol or propylene carbonate as greener alternatives to acetonitrile when analytically acceptable.
Comparison (general guidance):
DMSO vs DMF: DMSO offers comparable solvency with a better EHS profile than DMF; choose DMSO for stock solutions when possible.
Ethanol vs Methanol/ACN: Ethanol is safer and more sustainable but may be less compatible with some proteins/assays and can alter retention in LC methods.
2-MeTHF/EtOAc vs chlorinated solvents: For any preparative work, prefer 2-MeTHF or ethyl acetate to dichloromethane/chloroform, acknowledging solubility and selectivity tradeoffs.
Operational practices:
Use microscale assay formats and high-concentration stocks to minimize solvent volumes.
Employ closed, amber containers to reduce volatilization and photolysis, decreasing waste.
Validate greener mobile phases by small pilot runs to ensure acceptable peak shape and sensitivity before full deployment.
All solvent substitutions should be validated for the specific assay or analytical method to ensure data integrity.
Pharmaceutical Uses
This material is supplied for research use only and is not intended for human or veterinary use, APIs, or clinical applications.
Research/manufacturing context (general):
Reference/analytical standard: Nitrofuran-class small molecules may be used as reference compounds for method development and impurity profiling in research laboratories.
Formulation studies (preclinical research): For in vitro dosing solutions, typical vehicles include DMSO stocks diluted into aqueous media; for ex vivo studies, co-solvent systems (e.g., PEG400/saline with low DMSO) may be explored. All such uses require internal qualification.
Solid-form screening: If polymorphism or solvate formation is relevant to your project, standard preformulation screens (PXRD, DSC, TGA) can be conducted. No item-specific solid-form data are provided here.
Regulatory notes:
No pharmacopeial monograph or compendial grade is claimed for this listing.
For any regulated application, obtain formal specifications, impurity profiles, and stability data via a custom request; this Moligand™ product is intended for discovery research workflows only.
Always consult your institution’s safety and compliance offices before any use beyond basic research.
Physical Properties
Item-specific physicochemical specifications have not been provided for this catalog entry.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: 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 applicable/Not specified (solid small molecule; literature values vary by form and purity).
Density: Not specified for this item; refer to CoA/Spec Sheet.
Refractive index: Not applicable for solids.
Solubility (qualitative guidance, general): Nitrofuran aromatic small molecules are commonly sparingly soluble in water and soluble in polar aprotic organic solvents (e.g., DMSO, DMF, acetone, acetonitrile) and moderately in alcohols. For assay use, DMSO stock solutions are typical.
LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
pKa: Not specified for this item; refer to CoA/Spec Sheet.
Preparation guidance (general/literature-based best practices):
Prepare concentrated stocks (e.g., 10–50 mM) in anhydrous DMSO, filter-sterilize if required (0.22 µm PTFE), and dilute into aqueous buffers with attention to final DMSO content (≤1–2% v/v for most biochemical assays).
For analytical characterization, reverse-phase HPLC or LC–MS with gradients of water (0.1% formic acid) and acetonitrile or methanol is commonly effective for nitrofuran chemotypes.
For precise, item-specific physicochemical values and acceptance ranges, consult the CoA/Spec Sheet.
Quality & Grades
Grade/Purity: Moligand™ (as listed). Moligand denotes inclusion in Aladdin’s small-molecule and compound library tier intended for screening, ligand discovery, and exploratory chemical biology. This emphasizes identity confirmation and suitability for assay stock preparation rather than application-specific ultra-trace impurity specifications.
What Moligand™ typically signifies (general guidance):
Identity verification by appropriate spectrometric/analytical techniques (e.g., LC–MS, NMR, or HRMS as applicable).
Purity suitable for screening workflows; specific acceptance criteria and assay-tailored impurity profiles are detailed on the item’s CoA/Spec Sheet.
Practical pack sizes optimized for medicinal chemistry and HTS/fragment-to-lead style work.
Implications for use:
For quantitative biology or SAR, verify purity and stability windows from the CoA and re-verify by LC–MS upon receipt if your protocol is highly sensitive to trace impurities.
If chromatographic baselines or UV background are critical, request or consult the UV trace/LC–UV data on the CoA.
Item-specific details not provided:
Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet.
Water/peroxide/metal limits, residual solvents, and UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
For regulated or GMP contexts, this research-grade material is not intended for use; request custom specifications if needed.
Reaction & Applications
As supplied in Moligand™ grade, nifurzide is positioned primarily as a bioactive-like screening compound rather than as a synthetic reagent. Nevertheless, understanding its reactivity context can aid handling and derivative synthesis.
Applications (research/literature, non-clinical):
Ligand discovery and library screening: Nitrofuran scaffolds provide hydrogen-bond acceptors/donors and π-systems suitable for interrogating enzyme or receptor pockets in biochemical or cell-based assays.
Analytical reference: May be used as a system-suitability/retention-time reference in LC–MS method development for nitroheteroaromatics.
Chemical reactivity considerations (general for nitrofuran aromatics):
The nitro group is strongly electron withdrawing, modulating ring electronics and potentially participating in redox chemistry under bioreductive conditions.
Conjugated linkers (e.g., imine/amide) commonly found in this class can be sensitive to strong nucleophiles/base and to hydrolysis under harsh conditions.
Electrophilic aromatic substitution on the furan ring is disfavored; modifications are typically executed via side-chain/linker functional groups.
Practical tips:
Maintain neutral to slightly acidic conditions during solution prep to minimize base-promoted degradation of conjugated linkers.
Protect from strong light during long assays or storage; use amber vials.
For SAR, late-stage diversification is commonly pursued on pendant amide/urea/aryl positions rather than on the nitrofuran core.
Reaction Conditions
Because nifurzide is furnished as a research-grade screening compound rather than a reagent, there are no prescribed reaction conditions for its use. The following general conditions reflect literature practices for handling nitrofuran-containing small molecules in solution and for preparing analogues.
Stock solutions: 10–50 mM in anhydrous DMSO, prepared under subdued light. Filter through 0.22 µm PTFE if particulate is observed. Store aliquots at −20 °C protected from light for extended periods (see Storage tab for item-specific notes).
Stability in media: Favor neutral buffers (PBS, HEPES). Avoid prolonged exposure to pH > 8–9, which can accelerate degradation of conjugated linkers found in this chemotype.
Temperature: Room temperature handling is typical; minimize heating during assay prep unless solubility screening indicates a brief warm sonication is needed.
Light sensitivity: Use amber vials and cover microplates when feasible to reduce photodegradation of nitroheteroaromatics.
For analogue synthesis (general guidance):
Couplings: HATU or EDCI with mild bases (DIPEA) in DMF/DCM at 0–25 °C; reaction times 0.5–12 h depending on partners.
Imine formation (if relevant): Aldehyde + amine in toluene or MeOH with molecular sieves or Dean–Stark; monitor E/Z ratio and hydrolytic stability.
Workup: Avoid strong basic washes; use gentle aqueous quench and rapid phase separations.
Always validate conditions experimentally for the specific structure in hand.
Safety & Handling
Safety data specific to this item has not been provided. Always consult the SDS for authoritative guidance.
GHS classification: Not specified for this item; refer to SDS.
Signal word / pictograms / H-statements: Not specified for this item; refer to SDS.
General laboratory precautions for nitroaromatic/nitrofuran small molecules (literature/practice):
PPE: Wear lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Handle powders in a fume hood to minimize inhalation of dust.
Avoid skin/eye contact and ingestion. Wash thoroughly after handling. Prevent aerosolization when weighing.
Incompatibilities: Strong reducing agents (which can affect nitro groups), strong bases/acids that may hydrolyze labile linkages, and strong oxidizers. Avoid prolonged exposure to elevated heat and light.
First aid (general): In case of skin contact, wash with soap and water. For eye contact, rinse cautiously with water for several minutes and seek medical attention. If inhaled, move to fresh air. If swallowed, seek medical advice.
Environmental: Prevent release to the environment. Collect spills with inert absorbents; dispose in accordance with local regulations.
Stability considerations: Many nitroheteroaromatics are light sensitive; store in tightly closed, light-protective containers. Prepare fresh solutions as needed, or aliquot and freeze to limit freeze–thaw cycles.
Note: This product is for research use only.
Solvent Selection
Nifurzide is a heteroaromatic small molecule from the nitrofuran class. In screening and analytical contexts, solvent choice should prioritize solubility, stability, and assay compatibility.
Primary stock solvent (practice): Anhydrous DMSO is generally preferred owing to high solvating power for nitroheteroaromatics and broad assay compatibility.
Alternative solvents: DMF, acetonitrile, acetone, ethyl acetate, and methanol can dissolve related chemotypes; water solubility is often limited without cosolvent or surfactant.
Aqueous work: Dilute DMSO stocks into buffered aqueous media (e.g., PBS, HEPES) while controlling final DMSO ≤1–2% v/v to protect biomacromolecular function. Add DMSO stock last with vigorous mixing to minimize local supersaturation/precipitation.
Considerations:
Stability: Nitrofurans can exhibit light sensitivity and, in some cases, base- or nucleophile-promoted degradation; prefer neutral pH buffers and minimize prolonged exposure to strong base.
Filtration: Use PTFE or PES syringe filters; avoid cellulose esters if solvent compatibility is uncertain.
Assay optics: If using UV–vis readouts, check background absorbance of the compound in the detection window; record a compound blank.
Quick comparison (general):
DMSO: maximal solubility, best for stocks, biologically tolerated in small %.
MeOH/EtOH: good solubility, higher volatility; greater risk of protein denaturation.
ACN: good for LC–MS and HPLC sample prep; limited biological assay tolerance.
Always verify item-specific solubility from the CoA or by a small-scale solubility screen.
Storage & Reconstitution
Storage conditions (as listed): Room temperature.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
General best practices for nitrofuran-class small molecules:
Keep container tightly closed in a dry, well-ventilated place. Minimize exposure to light; amber glass is recommended. Even when room-temperature storage is acceptable, protecting from light can improve shelf life.
For long-term retention of solution stocks, prepare aliquots and store at −20 °C to reduce degradation and freeze–thaw cycles.
Reconstitution/stock preparation (guidance):
Dissolve the solid in anhydrous DMSO to prepare a 10–50 mM master stock. Vortex to homogeneity; gentle warming or short sonication may assist dissolution. If particulate persists, sterile-filter through 0.22 µm PTFE.
For aqueous working solutions, dilute the DMSO stock into the target buffer/media with vigorous mixing, keeping final DMSO typically ≤1–2% v/v.
Record exact solvent lot, concentration, and preparation date on each aliquot for traceability.
Stability notes:
Item-specific stability, hygroscopicity, and photostability limits are Not specified for this item; refer to CoA/Spec Sheet. As a precaution, avoid prolonged exposure to elevated temperatures or high pH.
Research Use Note: For research use only.
Structure & Identity
Nifurzide (SKU N612299) is listed in our small-molecule/compound library collection (Moligand grade). Public-domain sources describe it as a nitrofuran-containing aromatic small molecule; however, item-specific identifiers for this catalog entry are limited.
CAS: 39978-42-2 (literature)
PubChem CID: 9571044 (literature)
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 (literature/general):
Many “nifu-” derivatives feature a 5-nitrofuran ring conjugated to an aromatic/amide framework; nifurzide is reported as part of this nitrofuran chemotype class.
Functional-group motifs typical of this class can include nitro-substituted heteroaromatics, conjugated imine/amide linkages, and hydrogen-bond donors/acceptors relevant for ligand–protein interactions.
2D structure in words (general nitrofuran chemotype description):
A five-membered furan ring bearing a nitro group at the 5-position, conjugated through a double-bond or amide/imine linker to an aryl or acyl fragment. The scaffold is generally planar to moderately twisted, supporting π–π and H-bond interactions in binding assays.
Note: Where precise structural identifiers are required for registration or analytical work, please consult the item’s CoA/Spec Sheet for definitive data.
Synthetic Utility
Nifurzide is offered as a screening compound rather than as a building block; however, understanding the general synthetic logic around nitrofuran scaffolds can inform analogue preparation and SAR campaigns.
General features of nitrofuran derivatives (literature):
Core assembly: The 5-nitrofuran ring is typically introduced via nitration of substituted furans or by coupling preformed nitrofuran moieties to linkers (e.g., via aldehyde, acid, or amine handles on the partner fragment).
Linker chemistry: Conjugated imine/Schiff base formation, amide/urea coupling (EDC/HATU/DIC), and carbamate formation are common to attach pharmacophores or solubilizing groups to the nitrofuran core.
Diversification: Late-stage functionalization often targets aryl substituents, amide N-substitution, or linker oxidation/reduction states rather than electrophilic substitution on the electron-poor furan ring.
Analogue synthesis tips:
Protect sensitive functionalities when performing strong basic or nucleophilic transformations; nitrofurans can undergo side reactions and degradation.
Use mild coupling conditions (e.g., HATU/HOAt, room temp) to preserve the integrity of conjugated linkers.
Monitor reactions by LC–MS using wavelengths that capture the nitroaromatic chromophore (e.g., 320–380 nm) in addition to 254 nm to enhance detectability.
Purification/characterization:
Reverse-phase chromatography can be effective for polar nitroheteroaromatics.
Confirm identity and purity by orthogonal methods (1H/13C NMR, HRMS, LC–MS); where relevant, check for E/Z isomerism of imines and perform stability checks under storage and assay conditions.
Target Specificity
Not applicable. This product is a small-molecule compound and is not an antibody, protein, or nucleic acid reagent with defined antigen/epitope specificity.
No clone, isotype, or species reactivity information applies.
If used as a chemical probe, any “target specificity” must be established empirically via biochemical assays, profiling, or chemoproteomics under the user’s conditions.
Frequently Asked Questions
What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 39978-42-2. InChIKey IDUMOVRJNBNOTR-BIZLIJPVSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.
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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