GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
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Application Protocols
Item-specific, validated application protocols (e.g., assay conditions, recommended concentrations, or analytical methods) are not provided in the product data for this listing.
General starting points for research use
Stock preparation: Prepare 10–50 mM stocks in anhydrous DMSO. Vortex/sonicate to dissolve; warm gently if needed. Filter through 0.22 µm PTFE if using in biological assays.
Biochemical assays: Typical top concentrations are 10–50 µM with serial dilutions (1:3 or 1:2). Keep final DMSO ≤0.1–0.5% v/v or per assay tolerance. Include solvent controls and, if available, a positive control relevant to your assay.
Cell-based assays: Start with 10 mM DMSO stocks; dose to final 0.1–10 µM ranges as appropriate for your system, observing cytotoxicity and solubility limits. Confirm absence of precipitate after dosing.
Analytical QC: Verify identity/purity by LC–MS and HPLC prior to critical experiments. Consider qNMR to confirm stock concentration.
These are general research guidelines only. Optimize parameters for your specific assay system and consult the CoA/Spec Sheet for any lot-specific recommendations.
Biological Roles
Item-specific biological targets, modes of action, and pathway roles for this compound are not provided in the product data. Accordingly, no target or mechanism claims are made for this listing.
General considerations for research small molecules
If you plan to use this compound in biochemical, cell-based, or in vivo-like model systems, establish its target engagement and off-target profile using orthogonal assays (e.g., enzymatic IC50, CETSA/DSF, affinity-based profiling, or transcriptomic signatures), as appropriate for your research question.
Determine physicochemical drivers of biological performance: solubility at assay pH, permeability (e.g., PAMPA/MDCK), and stability in assay media and microsomes. These parameters often dictate apparent potency and reliability of biological readouts.
Evaluate assay interference risks: autofluorescence, redox activity, PAINS motifs, or aggregation. Pre-filtering data for these artifacts can prevent false positives.
Note
This product is supplied strictly for research use only. It is not intended for diagnostic, therapeutic, or any clinical application. Any biological roles or activities must be determined empirically in your laboratory and substantiated with appropriate controls.
Buffer Applications
This item is a discrete research small molecule and is not a buffering reagent. Therefore, conventional buffer formulation guidance (e.g., phosphate, Tris, HEPES systems) does not apply directly.
Practical notes for assay buffers (general guidance)
If preparing aqueous assay solutions containing this compound, use a validated biological buffer system compatible with your assay (e.g., HEPES, PBS, or Tris) and confirm compound solubility and stability in the chosen buffer at the working pH and ionic strength.
Control the final organic co-solvent (e.g., DMSO) content to within assay-acceptable limits to avoid perturbing enzyme activity or cell health. Include solvent-only controls.
When pH-dependent solubility is suspected (for ionizable compounds), pre-dissolve in DMSO, then dilute into buffer pre-adjusted to a pH that maximizes solubility without compromising assay biology.
Item-specific pKa and buffer compatibility data are Not specified for this item; refer to CoA/Spec Sheet and perform a small-scale solubility test prior to large experiments.
Green Alternatives
While this product is a discrete research compound rather than a solvent or reagent, greener choices can still be made in its handling and associated workflows.
Greener stock/diluent options (general): Prefer aqueous buffers with minimal DMSO when solubility allows. Where organic co-solvent is necessary, consider ethanol or 2-propanol as more benign alternatives to DMF/NMP, recognizing their lower solvating power for some scaffolds.
Chromatography and analytics: For LC, choose water–acetonitrile systems over water–methanol when waste minimization and separation efficiency warrant; MeOH is sometimes greener by hazard profile—select based on total impact and method performance. Use buffered aqueous mobile phases at lower organic percentages where feasible.
Work-up and cleaning: Replace chlorinated solvents for glassware rinsing with acetone or ethanol where effective. Employ microscale reactions/assays to reduce solvent consumption and waste.
Illustrative comparison (general)
DMF/NMP (high solvency, reproductive hazards) vs ethanol/2-propanol (safer profile, lower solvency): trade-off between solubility and EHS profile.
DCM/CHCl3 (excellent elution power, high impact) vs EtOAc/MeOH/Hexanes (lower toxicity; adjust gradients to achieve comparable separations).
Implement solvent selection guided by institutional green-chemistry frameworks (e.g., GSK/ACS solvent guides) and validate that alternative media maintain compound stability and assay fidelity.
Pharmaceutical Uses
No pharmacopeial status or formulation role is provided for this product. It is sold strictly for research use and is not an excipient, API, or material for clinical manufacturing.
Research-facing considerations (general)
Preformulation screening: If using the compound in formulation research (e.g., enabling solubility for in vitro studies), characterize pKa, logD, and solid-state form (crystalline vs amorphous). Consider enabling formulations such as cosolvents, cyclodextrin inclusion, micelles, or lipid-based vehicles for exploratory studies only.
Stability: Evaluate solid-state and solution stability under ICH-like stress (light, heat, humidity, oxidative conditions) to inform suitable packaging and handling in the laboratory.
Salt/salt-screening: If the compound is ionizable, exploratory salt screens can improve solubility and stability for research dosing solutions; ensure that any formed salts are clearly labeled and characterized.
Regulatory note
This material is not approved for human or veterinary use and is not supplied under cGMP. Do not use in diagnostic procedures or clinical applications.
Physical Properties
Item-specific physicochemical data were not supplied in the product record for this compound.
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 (MP): Not specified for this item; refer to CoA/Spec Sheet.
Boiling point (BP): Not applicable for most high-MW drug-like solids; item-specific value not provided.
Density: Not specified for this item; refer to CoA/Spec Sheet.
Refractive index: Not applicable for solids; not specified for this item.
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 laboratory expectations for drug-like screening solids (literature/general)
Many kinase-oriented or drug-like research compounds are crystalline or amorphous solids with MP commonly in the 120–280 °C range (literature, broad range) and limited aqueous solubility at neutral pH.
Stock solutions are often prepared in DMSO at 10–50 mM and diluted into assay buffers; precipitation risk increases above ca. 0.1–1% v/v DMSO in aqueous media depending on intrinsic solubility.
Solubility can sometimes be improved with co-solvents (DMF, NMP), pH adjustment when ionizable groups are present, or inclusion of cyclodextrins/surfactants in biological assay buffers.
Please rely on the CoA/Spec Sheet accompanying your lot for authoritative item-specific physical property data.
Quality and Grades
Grade/Purity: Moligand™ (as listed). No numeric purity specification was provided in the product data; refer to the CoA for lot-specific assay and impurity profile.
What Moligand™ typically denotes (general description)
Moligand™ indicates a screening/medicinal-chemistry-oriented research grade suitable for ligand discovery workflows (e.g., primary/secondary assays, SAR, and chemical biology). This grade emphasizes verified identity and practical usability in common assay solvents (e.g., DMSO).
Typical documentation provided with such offerings includes identity confirmation (e.g., LC–MS), and in many cases NMR spectra and an HPLC purity trace. Item-specific documents for your lot are authoritative.
Implications for use
For biophysical or enzymatic screening, ensure the reported purity and counterion state from the CoA meet your internal thresholds (commonly ≥95% by HPLC for screening; higher for reference-standard use). If unstated, perform in-house QC.
For analytical reference work (calibration/controls), verify residual solvent content, water content, and salt/solvate composition as needed; these are Not specified for this item; refer to CoA/Spec Sheet.
Stabilizers/additives: Not specified for this item; refer to CoA/Spec Sheet.
Regulatory note
This product is for research use only and is not intended for human or veterinary use, diagnostic procedures, or as an active pharmaceutical ingredient.
Reaction and Applications
Manufacturer application text was not supplied; item-specific reactivity data are not provided. As a finished small-molecule research compound, the primary applications are typically in discovery and analytical contexts rather than as a general synthetic reagent.
Common research uses (general guidance)
Biochemical/biophysical screening: Employed as a test article in enzyme or cell-based assays for SAR exploration or phenotypic profiling. Prepare defined DMSO stocks and confirm concentration by UV or quantitative NMR when necessary.
Analytical reference material: Useful as a positive control or retention-time marker in LC–MS/MS method development, stability studies, and metabolism assays (when authentic structure data are available from the CoA).
Probe development: May serve as a starting point for analog generation, pending IP/freedom-to-operate and availability of structural details.
Practical considerations
Confirm stability in your assay media (evaluate for hydrolysis, oxidation, photolysis). Perform short stress tests and monitor by LC–MS.
If metabolite or degradant identification is part of your work, set up microsomal/S9 incubations and photostability studies with appropriate controls.
For plate-based screening, pre-dilute to intermediate working plates to minimize DMSO spikes and solubility artifacts; check for colloidal aggregation using detergent controls or DLS as needed.
For any synthetic transformations of this molecule, consult its detailed structure on the CoA/Spec Sheet to identify modifiable handles and functional group compatibility.
Reaction Conditions
No item-specific reactivity or transformation conditions are provided for this product. If you intend to modify the molecule for SAR or tagging, adopt standard modern conditions tailored to the functional groups revealed in the CoA/structural documentation.
General condition ranges (literature/general)
Cross-couplings (if aryl/vinyl halides or boronates are present): Pd catalysts (e.g., Pd2(dba)3/XPhos or Pd(PPh3)4), bases (K2CO3, Cs2CO3), and solvents (toluene, 1,4-dioxane, or MeCN/water). Typical 50–110 °C, 2–16 h.
Amide couplings (if acids/amines present): HATU/HBTU/EDC·HCl with DIPEA in DMF or MeCN, 0–25 °C to room temp, 0.5–12 h.
N-alkylation/acylation (if nucleophilic heteroatoms present): Alkyl halides or acyl chlorides under mild base (K2CO3/NaH) in DMF/MeCN, 0–25 °C.
Reductions/oxidations (functional-group dependent): Hydride reagents (NaBH4, LiAlH4) or catalytic hydrogenation with Pd/C; careful compatibility checks advised.
Stability and controls
Evaluate thermal and redox stability before heating or applying strong reagents. Perform small-scale scouts and monitor by LC–MS.
Exclude moisture/air when necessary (Schlenk or glovebox) for hydrolysis-/oxidation-sensitive motifs.
These parameters are general literature guidance and must be adapted to the actual functional groups and protective-group strategy for the specific structure in your lot.
Safety and Handling
GHS classification and hazard statements are not provided in the product data and may vary by lot. Always consult the SDS for your specific shipment.
Signal word: Not specified for this item; refer to SDS.
GHS hazard statements/pictograms: Not specified for this item; refer to SDS.
Recommended PPE: Laboratory coat, safety glasses, and suitable gloves (e.g., nitrile). Handle powders in a fume hood to minimize inhalation exposure.
General risks for research small molecules (general guidance): Potential for skin/eye irritation, respiratory tract irritation from dusts, and unknown toxicological profile. Avoid ingestion and aerosol formation.
Storage incompatibilities: Segregate from strong oxidizers, strong acids/bases until compatibility is known. Avoid prolonged exposure to heat, light, and moisture unless stability is documented.
Handling practices: Minimize open handling of powders; consider using a balance enclosure. For solution handling, avoid repeated freeze–thaw of DMSO stocks to limit hydrolysis/oxidation.
First-aid overview (general): Inhalation—move to fresh air; Skin—wash with soap and water; Eyes—rinse cautiously with water for several minutes; Ingestion—rinse mouth, seek medical attention. Provide SDS to responders.
Spill response: Avoid dust generation; collect with damp disposable towels or HEPA-filtered vacuum into suitable waste. Decontaminate area with appropriate solvent/detergent.
Definitive safety guidance, exposure limits, and waste disposal requirements must be taken from the SDS and your institutional EHS policies.
Solvent Selection
Item-specific solubility data are not provided. The following guidance reflects common practice for drug-like research compounds.
Primary stock solvent: DMSO is typically preferred for hydrophobic, heteroatom-rich small molecules; aim for 10–50 mM concentrates, filter-sterilize (0.22 µm PTFE) if using in biological assays.
Co-solvents: DMF or NMP can assist dissolution when DMSO alone is insufficient. Ethanol or isopropanol may be used for more lipophilic but less polar scaffolds.
Aqueous buffers: Direct aqueous solubility may be limited at neutral pH. If the compound is ionizable, pH-adjusted buffers (acidic for bases; basic for acids) can improve solubility. Keep final DMSO below assay-acceptable limits (often ≤0.1–0.5% v/v).
Volatile organic solvents for synthetic handling: If derivatization or analytical prep is needed, acetone, acetonitrile, ethyl acetate, or methanol are commonly compatible, but confirm stability first.
Comparison (general)
DMSO vs DMF: DMSO offers better biocompatibility in assays; DMF can enhance solubility but is less desirable in biological systems.
MeCN vs MeOH: MeCN favors LC–MS compatibility and rapid evaporation; MeOH can aid dissolution of polar functionalities.
Practical tips
Warm gently (25–40 °C) and vortex/sonicate to speed dissolution. Avoid prolonged heating.
Evaluate precipitation upon dilution by visual inspection or nephelometry.
For long-term stocks, aliquot DMSO solutions to minimize freeze–thaw stress.
Storage and Reconstitution
Storage conditions (solid): Room temperature (as provided in the product data). Protect from light and moisture. For long-term retention of quality, many users store drug-like solids desiccated in inerted vials; adopt based on your stability assessment.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Reconstitution (general guidance)
Solids: Allow vial to equilibrate to room temperature before opening to prevent condensation. Accurately weigh under low-humidity conditions.
Stock solutions: Prepare in anhydrous DMSO at 10–50 mM unless your CoA specifies otherwise. Mix thoroughly (vortex/sonicate) and inspect for clarity. If needed, warm gently (≤40 °C). Record exact concentration by mass balance or qNMR.
Aliquoting: Dispense single-use aliquots in amber vials or plates to avoid multiple freeze–thaw cycles. Store DMSO stocks at −20 to −80 °C, protected from light. Note: Solution storage temperatures are general best practices; item-specific solution stability is Not specified for this item; refer to CoA/Spec Sheet.
Freeze–thaw: Minimize cycles; thaw at room temperature and mix before use. Discard if turbidity, color change, or new LC–MS peaks appear.
Always defer to the CoA/Spec Sheet and SDS supplied with your lot for authoritative, item-specific instructions.
Structure and Identity
This listing is for nimucitinib supplied as a research small molecule from the Moligand™ collection. Item-specific structure fields are not provided in the product data.
SKU: N612305
Product name: nimucitinib (research-use compound)
CAS: Not specified for this item; refer to CoA/Spec Sheet.
InChIKey: Not specified for this item; refer to CoA/Spec Sheet. (Product data lists "29165", which is not a standard InChIKey format.)
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 description
Item-specific functional groups, ring systems, stereochemistry, and 2D topology are not provided in the product data. Please consult the Certificate of Analysis or structure sheet included with your shipment for definitive identifiers and structural drawings.
Notes on identity verification (general guidance)
For screening compounds, best practice is to confirm identity via orthogonal methods prior to critical use: 1H/13C NMR, HRMS (ESI/APCI), and, if needed, LC–MS with a single sharp peak at the reported retention time.
Where an InChIKey/SMILES is supplied on the CoA, cross-reference with your ELN or screening database to avoid mix-ups with similarly named candidates.
If a salt form or solvate is provided, confirm counterion/stoichiometry (e.g., HCl, TFA, hemifumarate) by elemental analysis or NMR integration.
Synthetic Utility
As supplied, nimucitinib is a finished research compound, and the product data do not disclose its functional groups or reactive handles. It is therefore not positioned as a general-purpose synthetic reagent. Nevertheless, some general considerations apply if analoging or derivatization is contemplated in a research setting.
General strategies (literature/general)
If structural information on the CoA reveals modifiable positions (e.g., aryl halides, anilides, sulfonamides, nitriles, heteroaryl nitrogens), common transformations include cross-couplings (Suzuki–Miyaura, Buchwald–Hartwig), amide/sulfonamide formation, nitrile reductions, or N-alkylations.
Late-stage diversification can be explored via C–H functionalization (e.g., Minisci on electron-deficient heteroarenes) or photoredox-mediated aryl/heteroaryl substitutions, conditional on the scaffold’s stability.
For probe development, introduction of reporter handles (alkynes/azides for click chemistry, photoaffinity diazirines) is often achieved through side-chain or solvent-exposed vector modifications identified by docking or SAR.
Analytical support
Track reactions with LC–MS and qNMR to ensure mass balance and detect subtle degradants. Pay attention to potential atropisomerism or tautomerism that can complicate spectra.
Caveat
Without item-specific structure, the above is general and contingent on the functional groups present. Use the structural documentation provided with your lot to plan viable synthetic routes.
Target Specificity
No target, enzyme, receptor, or pathway specificity information is provided in the product data for nimucitinib. Accordingly, no claims regarding binding, inhibition, activation, or selectivity are made for this product.
Guidance for users (general)
Establish target specificity empirically using orthogonal assays appropriate to your research (e.g., biochemical IC50/Ki measurements, cellular target engagement such as CETSA/BRET, or chemoproteomic pull-downs if an affinity handle is introduced).
Include a counter-screen panel to quantify off-target activity and selectivity metrics if the compound will be used as a probe in cellular systems.
For authoritative target information, refer to the structural/analytical documentation provided with your lot and any internal or published data in your organization. This product is provided strictly for research use only.
Foire aux 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 N612305. InChIKey BNBLXBPXMLDDSY-UHFFFAOYSA-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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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.
