GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.10mM in DMSO
Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
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Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof
Cited in 14 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Descripción general
Information
Nilotinib (AMN-107) Nilotinib (AMN-107) is a selective Bcr-Abl inhibitor with IC50 less than 30 nM in Murine myeloid progenitor cells. Nilotinib induces autophagy through AMPK activition. In vitro
Nilotinib inhibits proliferation, migration, and actin filament formation, as well as the expression of α-SMA and collagen in activated HSCs. Nilotinib induces apoptosis of HSCs, which is correlated with reduced bcl-2 expression, increases p53 expression, cleavage of PARP, as well as increases expression of PPARγ and TRAIL-R. Nilotinib also induces cell cycle arrest, accompanied by increased expression of p27 and downregulation of cyclin D1. Interestingly, Nilotinib not only inhibits activation of PDGFR, but also TGFRII through Src. Nilotinib significantly inhibits PDGF and TGFβ-simulated phosphorylation of ERK and Akt. Furthermore, PDGF- and TGFβ-activated phosphorylated form(s) of Abl in human HSCs are inhibited by Nilotinib. Nilotinib inhibits most imatinib-resistant Bcr-Abl mutations, except for T315I. Nilotinib inhibits PDGF-DD-mediated ERK1/2 activation, basal and PDGF-DD-mediated activation of PDGFRβ and Akt, and schwannoma proliferation. Nilotinib is more potent than imatinib, exerting its maximal inhibitory effect at concentrations lower than steady-state trough plasma levels. Nilotinib also significantly reduces the expression levels of the genes for TGF-β1 and platelet-derived growth factor (PDGF). Nilotinib treatment also significantly inhibits the PDGF-induced proliferation of lung fibroblasts. Nilotinib inhibits the proliferation of Ba/F3 cells expressing p210- and p190-Bcr-Abl, or K562 and Ku-812F cells with IC50 values ≤12 nM.
In vivo
Nilotinib reduces collagen deposition and α-SMA expression in CCl4 and BDL-induced fibrosis. Nilotinib could induce HSC undergoing apoptosis, which is correlated with downregulation of bcl-2. Nilotinib attenuates the extent of lung injury and fibrosis. Nilotinib therapy significantly reduces the levels of hydroxyproline on days 14 and 21, which is accompanied by decreased expression levels of transforming growth factor (TGF)-β1 and PDGFRβ. AMN107 prolongs survival of mice injected with Bcr-Abl-transformed hematopoietic cell lines or primary marrow cells, and prolongs survival in imatinib-resistant CML mouse models. Cell Data
Nilotinib (AMN-107) is a selective Bcr-Abl inhibitor with IC50 less than 30 nM in Murine myeloid progenitor cells. Nilotinib induces autophagy through AMPK activition.
Condiciones de almacenamiento de almacenamiento
Store at -80°C
Enviado en
Dry ice packs + Cold packs
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Grado
Moligand™
Tipo de acción
INHIBITOR
Mecanismo de acción
Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of discoidin domain receptor tyrosine kinase 1;Inhibitor of discoidin domain receptor tyrosine kinase 2
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Application Protocols
Not specified for this item; refer to CoA/Spec Sheet. No tested applications, assay formats, or recommended dilutions are provided in the Product Data.
General note: When incorporating this compound into screening or biochemical assays, develop protocol-specific handling (stock concentration, vehicle percentage, plate type, incubation time) and verify solubility and stability empirically.
Biological Roles
General description (literature)
Nilotinib is widely described in the literature as an ATP-competitive small-molecule modulator of tyrosine kinase signaling. It is frequently used as a reference tool compound in studies of kinase biochemistry, target engagement, and resistance mechanisms. This description is provided for context only and is not a product specification.
Research utility
Employed in biochemical binding/enzymatic assays, biophysical methods (e.g., DSF, SPR), and cellular pathway interrogation to understand kinase-driven signaling and structure–activity relationships (SAR).
Serves as a comparator/control in chemogenomic and phenotypic screens to benchmark assay performance and evaluate off-target profiles (literature).
ADME/behaviors (literature, qualitative)
Lipophilic, high aromaticity; limited aqueous solubility as free base.
Strong UV chromophore enabling sensitive detection by LC–UV and LC–MS.
Important caveats
Do not infer any medical or therapeutic claims from this description. This product is supplied strictly for laboratory research use only (per Product Data).
Target specificity, selectivity panels, and potency values are not provided for this item; consult primary literature if such context is required for study design.
Buffer Applications
This product is not a buffering reagent. It does not define pH or buffer capacity in aqueous systems.
Practical guidance
For biological testing, prepare concentrated DMSO stocks and dilute into the desired assay buffer, keeping final DMSO typically ≤1–2% v/v.
If precipitation occurs, consider using mild surfactants (e.g., 0.01–0.1% polysorbate) or a small percentage of co-solvent, ensuring compatibility with the biological system.
Buffer recipes and pH ranges are not applicable to this compound; select buffers based on your assay (e.g., HEPES, PBS, Tris) and validate compound solubility and stability within that system.
Green Alternatives
Because this item is a solid bioactive small molecule rather than a process solvent or bulk reagent, “green alternatives” primarily relate to solvent choices for handling and analysis rather than substitution of the compound itself.
Greener solvent considerations for stock preparation and assays
DMSO vs DMF: DMSO is generally preferred from an EHS perspective and provides higher solubility for many heteroaromatics. DMF may be avoided where possible due to reproductive toxicity concerns.
Acetonitrile vs methanol (analytical): Acetonitrile often affords sharper LC peaks and lower backpressure; methanol is greener (renewable sourcing available) but may reduce solubility/retention orthogonality.
Aqueous buffering with minimal organic: Use the lowest feasible organic co-solvent (≤1% DMSO) and consider cyclodextrins or mild surfactants to enhance aqueous solubility, balancing biological compatibility.
Small comparison (general)
DMSO: High solvency, relatively benign profile; strong hygroscopicity; may impact biological systems ≥1–2%.
2-Propanol/ethanol: Greener but poorer for high-concentration stocks; potential assay interference at modest percentages.
Supercritical CO2 or bio-based solvents: Not typically applicable to dissolution of this compound for bench-scale assays.
Operational green tips
Use micro-aliquots to reduce freeze–thaw waste.
Adopt miniaturized assay formats to reduce solvent consumption.
Consolidate LC runs and use short columns with sub-2 µm particles to reduce acetonitrile usage.
Pharmaceutical Uses
No clinical or therapeutic claims are made for this item. It is provided strictly for research use only.
Relevant non-clinical roles (general)
Analytical reference or system suitability standard in method development (e.g., LC–UV/LC–MS).
Internal control or comparator in preclinical discovery assays and screening.
Not specified for this item; refer to CoA/Spec Sheet if a compendial reference or GMP documentation is required.
Formulation research (non-clinical)
Solubility enhancement strategies (e.g., cosolvents, cyclodextrins, pH adjustment) may be investigated in laboratory studies; validate stability and avoid extrapolation to clinical contexts.
Physical Properties
Item-specific specifications were not provided. The following are general literature descriptors for the free base; they are not product specifications.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Melting point (literature): Reported in the mid-200°C range for solid forms; exact value depends on salt/form (free base vs hydrochloride). Use lot-specific CoA for definitive values.
Solubility (literature, qualitative):
DMSO: good to excellent solubility; commonly used for stock solutions (e.g., 10–50 mM typical in screening workflows)
Methanol/Acetonitrile/DMF: moderate solubility
Aqueous buffers (neutral pH): very low solubility as free base; solubility may increase in acidic media or with solubilizing excipients
LogP/logD (literature): Lipophilic; reported cLogP values in the ~3.5–4.5 range depending on method
pKa (literature): Weakly basic/neutral character overall; precise pKa values vary by source and solid form and are not provided here
Refractive index, density, UV cutoff, water/peroxide/metal content: Not specified for this item; refer to CoA/Spec Sheet.
Practical note: For analytical chromatography, strong UV absorption across 220–300 nm can be expected due to the extended aromatic system (general literature behavior). Validate wavelength and extinction empirically.
Quality and Grades
Item-specific grade
Grade/Purity: Moligand™ (per Product Data). Moligand™ items are positioned as bioactive, library-ready small molecules intended for research, screening, and cheminformatics workflows. This typically emphasizes identity verification and suitability for assay use rather than solvent-grade chromatographic specs.
What Moligand™ usually implies (general guidance; not a specification)
Emphasis on structural identity (e.g., NMR/MS) and library compatibility.
Packaged to support plate-based screening and long-term frozen storage.
Not equivalent to HPLC/LCMS “solvent grades”; UV absorbance limits, metal content, water content, and stabilizers are not implied unless explicitly stated.
This item’s specifics
Purity, stabilizers, residual solvent limits, water/metal/peroxide content, and UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Practical recommendations
Verify identity/purity by in-house LC–MS before critical studies.
For screening, prepare DMSO stocks under dry, inert conditions and aliquot to avoid freeze–thaw cycles.
If analytical or regulatory comparability is required (e.g., reference standard usage), obtain a lot-specific CoA or analytical package.
Reaction and Applications
As a finalized, drug-like small molecule, this compound is not typically employed as a reagent or intermediate in synthetic transformations. Instead, its primary laboratory applications are in discovery biology and analytical chemistry.
Research applications (general, non-clinical)
Tool compound in kinase-pathway research and chemical biology (literature), including target engagement studies, binding assays, and selectivity profiling in vitro.
Positive control/reference in high-content or biochemical screening cascades.
Analytical reference for LC–MS method development, retention time locking, and stability-indicating assay qualification.
Not commonly applicable
It is not generally used in stoichiometric organic reactions (e.g., as a base, reductant, coupling partner). For synthetic methodology, see the Synthetic Utility section for SAR/derivatization concepts rather than application as a reagent.
Practical assay considerations
Prepare concentrated DMSO stocks; limit final DMSO to ≤1–2% v/v to maintain assay integrity.
Confirm solubility in the chosen buffer matrix; consider co-solvent or surfactant if precipitation is observed.
Include vehicle controls and, where relevant, orthogonal readouts to mitigate assay artifacts.
Note: No manufacturer application notes were provided beyond “For research use only.” The above are literature-style use cases and should be adapted to your specific protocols.
Reaction Conditions
This compound is supplied as a finished small molecule for research; it is not typically used as a reagent in synthetic reactions. Accordingly, classical “reaction conditions” (catalysts, yields, scopes) are not applicable.
Handling conditions for experimental use (general)
Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM; gentle warming (≤40°C) and sonication can aid dissolution.
Working solutions: Dilute into assay buffer immediately before use; maintain final DMSO at ≤1–2% v/v to limit biological perturbation.
Analytical prep: For LC–MS, dissolve in acetonitrile/water or methanol/water with 0.1% formic acid as needed to improve peak shape (validate stability).
Stability notes
Protect from light and moisture; avoid repeated freeze–thaw by aliquoting.
Monitor for precipitation upon aqueous dilution; prepare fresh solutions as needed.
If your intent is chemical derivatization, conditions will be scaffold- and substitution-specific; consult primary literature for routes to analogs.
Safety and Handling
GHS/SDS status
Signal word, hazard statements, pictograms, classification: Not specified for this item; refer to SDS for authoritative information.
General laboratory handling (good practice for drug-like heteroaromatics)
Avoid inhalation of dust and contact with skin/eyes. Handle powders in a fume hood or ventilated enclosure.
Wear appropriate PPE: lab coat, safety glasses, and nitrile gloves. Consider double-gloving for extended handling.
Prevent cross-contamination of screening libraries by using clean, dedicated tools and low-retention tips/tubes.
Storage incompatibilities and stability
Store at −80°C (per Product Data). Keep container tightly closed, desiccated, and protected from light.
Avoid strong oxidizers and strong acids/bases during storage and handling unless intentionally formulating; aromatic amide/heteroaromatic motifs can be sensitive to harsh conditions.
First-aid overview (consult SDS for details)
Eye/skin contact: Rinse with water for several minutes; remove contaminated clothing. Seek medical attention if irritation persists.
Inhalation: Move to fresh air. Seek medical attention if symptoms occur.
Ingestion: Rinse mouth. Do not induce vomiting; obtain medical attention.
Waste disposal
Dispose of unused material and solutions as organic hazardous waste per institutional and local regulations.
Note: Always defer to the product’s SDS and institutional EHS guidance for mandatory hazard communication and response measures.
Solvent Selection
This product is a solid, lipophilic, heteroaromatic small molecule typically handled as a concentrated DMSO stock for screening and biochemical assays.
Polarity and miscibility (literature-based behavior)
Lipophilic/neutral overall; poorly water soluble as the free base.
Readily soluble in DMSO; workable in DMF and acetonitrile; limited in methanol and ethanol; minimal in aqueous buffers at neutral pH.
Practical solvent choices
Primary: DMSO for stock solutions (e.g., 10–50 mM). Filter sterilize only if necessary and compatible with solubility.
Secondary: DMF or acetonitrile for analytical sample preparation and LC methods; co-solvent approaches (DMSO ≤1–2% v/v in final assay) help maintain solubility without perturbing biology.
Aqueous systems: Use surfactants (0.01–0.1% Tween-80) or acidic buffers if compatible with the assay, recognizing possible impacts on target biology.
Comparison to alternatives
Water-miscible polar aprotics (DMSO/DMF) maximize solubility but may affect certain enzymes/cells at higher percentages.
Protic solvents (MeOH/EtOH) are less effective for concentrated stocks and may interfere with some assays at modest levels.
Tips
Warm gently (≤40°C) and vortex/sonicate to aid dissolution; avoid prolonged heating.
Prepare fresh dilutions immediately before use to mitigate precipitation in aqueous media.
Storage and Reconstitution
Storage (item-specific)
Store at −80°C (per Product Data). Shipments are made on dry ice packs + cold packs.
Packaging and handling
Keep tightly closed under dry, inert atmosphere if possible. Minimize headspace moisture; include desiccant.
Protect from light to mitigate photodegradation risk of heteroaromatic systems.
Reconstitution (general guidance)
Dissolve the solid in anhydrous DMSO to prepare concentrated stocks (e.g., 10–50 mM). Vortex/sonicate and gently warm (≤40°C) to aid dissolution. Filter only if necessary and compatible with solubility.
Aliquot stocks into single-use vials or plates to avoid repeated freeze–thaw cycles. Store aliquots at −80°C.
For working solutions, dilute DMSO stocks into assay buffer immediately before use. Aim for final DMSO ≤1–2% v/v. Inspect for precipitation; discard if turbidity appears.
Stability notes
Long-term stability is enhanced by low temperature, dryness, and light protection. Avoid aqueous storage unless stability has been validated in your matrix.
For lot-specific stability/shelf-life and any appearance specifications, consult the CoA/Spec Sheet.
Structure and Identity
Brief overview: Nilotinib (AMN-107) is a drug-like, heteroaromatic small molecule commonly used as a tool compound in kinase-pathway research and screening libraries.
Item-specific identifiers (from Product Data)
SKU: N408607
CAS: 641571-10-0
CID: 644241
InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
SMILES: Not specified for this item; refer to CoA/Spec Sheet.
Literature structural information (for reference; not item specification)
Molecular formula (literature): C28H22F3N7O
Molecular weight (literature): ~529.52 g/mol
Core scaffold: multi-heteroaromatic system bearing an amide/urea-like linkage, multiple nitrogen heterocycles, and a trifluoromethyl-substituted aryl ring (typical of ATP-competitive kinase inhibitor chemotypes).
Functional groups: multiple aromatic/heteroaromatic rings, several ring nitrogens (HBA), one amide-type carbonyl (HBA), secondary/tertiary anilide features; no stereogenic centers (literature).
2D structure description (literature): A polycyclic, largely planar aromatic framework with one CF3-bearing phenyl ring coupled through a carbonyl-linked heteroaromatic core containing multiple ring nitrogens; overall neutral at physiological pH with limited ionizable centers.
Notes: Where exact structural strings (SMILES/InChI) are required for cheminformatics, please consult the CoA/Spec Sheet for this specific lot.
Synthetic Utility
Although not commonly used as a reagent, the molecule’s architecture is informative for medicinal chemistry and SAR exploration.
Functional group features (literature)
Multi-heteroaromatic core rich in ring nitrogens (H-bond acceptors) and an amide/urea-like linkage offering a key HBA and conformational lock.
Electron-withdrawing trifluoromethyl phenyl ring enhancing lipophilicity and metabolic stability; provides a handle for π-stacking and hydrophobic pocket occupancy.
Derivatization concepts
Bioisosteric swaps on the CF3-phenyl ring (e.g., difluoro, tert-butyl) to modulate lipophilicity and microsomal stability.
Linker/warhead modifications across the carbonyl region to tune H-bonding geometry and potency.
Heteroaromatic ring editing (N-count, annulation) to adjust basicity, solubility, and kinase hinge-binding interactions.
Retrosynthetic perspective (conceptual)
Convergent assembly of an aryl–carbonyl–heteroaryl axis via amide/urea formation from a heteroaryl amine and an activated acid/iso(thio)cyanate equivalent.
Late-stage introduction of CF3-aryl motifs by cross-coupling or nucleophilic aromatic substitution depending on substitution patterns.
Note: The above points are literature-style design heuristics for related scaffolds and do not constitute a synthetic route for this specific item.
Target Specificity
Not specified for this item; refer to CoA/Spec Sheet. No target, panel selectivity, or potency data are provided in the Product Data. For study design, consult primary literature and generate in-house target engagement data under your assay conditions.
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