GRAU & PUREZAMoligand™?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 phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
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 item-specific, validated application protocols are provided in the Product Data.
General HTS/assay protocol guidance (for small molecules; not product specifications)
Stock preparation: Dissolve in anhydrous DMSO to 10 mM. Vortex/sonicate; confirm clarity. Record exact concentration from weight-in and molecular weight (MW is not provided here—obtain from CoA to calculate accurately).
Plate formatting: Dispense to assay plates using acoustic or pin tools to achieve final 0.1–1% DMSO v/v. Include vehicle controls matched to maximum DMSO.
Dose-response: 10-point 1:3 or 1:2 serial dilutions spanning 0.01–50 µM final, adjusting to assay sensitivity.
Counterscreens/orthogonal assays: Include technology-diverse readouts (e.g., biochemical vs cell-based) and interference controls (detergent sensitivity, redox or fluorescence artifacts).
Data QA: Apply curve-fitting with appropriate models (four-parameter logistic), flag shallow or partial curves, and repeat with fresh aliquots if instability is suspected.
For any specialized applications (e.g., crystallography soaks, SPR, ITC), consult the CoA for solubility limits and verify aggregation-free behavior before proceeding.
Biological Roles
No biological function, pathway involvement, or target assignment is provided for NiK-21273 in the Product Data.
Known targets/pathways: Not specified for this item; refer to CoA/Spec Sheet and your internal screening results.
Mode of action: Not specified for this item; refer to CoA/Spec Sheet.
General guidance for discovery use
Treat the compound as an uncharacterized small molecule. Establish baseline properties (purity, identity, stability in assay buffer) before biological testing.
Run a tiered assay cascade: primary screen (biochemical or phenotypic) → orthogonal/secondary assays → counter-screens for assay interference (e.g., redox activity, aggregation, fluorescence quenching).
Evaluate potential liabilities such as PAINS-like motifs or colloidal aggregation once the exact structure is verified. Use detergent-sensitive controls and dynamic light scattering where appropriate.
Determine preliminary ADME-relevant properties experimentally or in silico after structure confirmation (solubility, permeability, microsomal stability) solely for research decision-making; no clinical or therapeutic conclusions should be drawn.
Research use only: This product is supplied strictly for laboratory research and discovery; no medical, diagnostic, or clinical use is intended or implied.
Buffer Applications
NiK-21273 is not a buffering agent. Buffer application considerations therefore focus on preparing assay buffers that maintain compound solubility and assay integrity.
General buffer guidance for small-molecule assays
Choose a buffer system compatible with your biology (e.g., PBS, HEPES, Tris) and maintain ionic strength and pH typical for the assay. Compound-specific pKa is unknown; avoid extreme pH until stability is assessed.
Keep final DMSO or organic cosolvent content low (commonly ≤0.1–1% v/v) to balance solubility and biological tolerance.
If precipitation is observed, consider: incremental cosolvent increases, gentle heating (≤37°C), surfactant addition (e.g., 0.01–0.05% Tween-20/Pluronic F-68), or protein carriers (BSA) where assay-permitted.
Filter sterilize buffers (0.2 µm) and pre-warm before adding compound stocks to minimize local supersaturation.
Item-specific buffer properties (pKa, buffer capacity, solubility vs pH): Not specified for this item; refer to CoA/Spec Sheet.
Green Alternatives
Without a disclosed structure, “greener” choices center on dissolution and assay media rather than reaction solvents.
Greener dissolution strategies (general)
Prefer aqueous buffers with minimal DMSO (≤0.1–0.5% v/v) when solubility and assay format allow.
If organic cosolvent is necessary, ethanol or isopropanol can be considered over DMF for improved environmental and health profiles (validate compatibility and solubility).
For plate formatting, minimize solvent volume and employ sealed, low-dead-volume vials/plates to reduce evaporation and waste.
Example comparison (general guidance)
| Use case | Conventional | Greener-leaning alternative | Trade-offs |
|---|---|---|---|
| Stock preparation | DMSO | Aqueous buffer with minimal DMSO cosolvent | May precipitate; requires solubility validation |
| Backup solvent | DMF | Ethanol/isopropanol | Lower solvency for some chemotypes; flammability management |
| Assay medium | High % organic | Buffered saline with ≤1% DMSO | Risk of precipitation; requires careful titration |
Operational practices
Right-size batch sizes to reduce expired stocks.
Use closed systems and cold-room storage for volatile solvents to curb losses.
Implement waste segregation and solvent recycling where available.
Pharmaceutical Uses
No pharmacopeial status, excipient role, or formulation specification is provided for this item.
Regulatory/compendial listing: Not specified for this item; refer to CoA/Spec Sheet.
Intended context: Research use only (as provided). Not for human or veterinary use, drug substance manufacturing, or clinical applications.
Research formulation context (general)
For in vitro assays, prepare DMSO stocks (e.g., 10 mM) and dilute into assay media while controlling cosolvent levels.
For nonclinical in vivo exploratory studies (if pursued under institutional approval), establish full compound identity, purity, and stability; develop vehicle systems empirically (e.g., PEG400/saline, Captisol, lipid-based carriers). This is general guidance only; no specific recommendation is made for this item without structural and tox data.
Documentation
Maintain detailed records of lot numbers, preparation solvents, concentrations, and storage conditions to ensure traceability across screening campaigns.
Physical Properties
Item-specific physicochemical parameters are not provided in the Product Data.
Appearance: 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 specified for this item; refer to CoA/Spec Sheet.
Density: Not specified for this item; refer to CoA/Spec Sheet.
Solubility: Not specified for this item; refer to CoA/Spec Sheet.
logP/logD, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.
Practical guidance (general; not product specifications)
For small-molecule library members, initial dissolution is commonly attempted in anhydrous DMSO (e.g., 10–50 mM stock), followed by aqueous dilution (maintaining ≤0.1–1% DMSO v/v depending on assay tolerance).
If solubility is uncertain, perform a mini-solubility screen: DMSO, DMF, MeOH, EtOH, acetonitrile, phosphate buffer with 0.5–1% DMSO or 0.01–0.05% nonionic surfactant. Confirm by visual inspection and analytic verification (HPLC/UPLC at 210–254 nm or LC–MS).
Determine pKa (if needed) by potentiometric titration or UV–visible spectrophotometric titration; measure logD at pH 7.4 via shake-flask or chromatographic methods.
Thermal behavior can be evaluated by DSC/TGA when assessing handling and compatibility during storage or plate-drying steps.
Always defer to the item’s CoA/Spec Sheet for any lot-specific physical data and preparation recommendations.
Quality and Grades
Grade/Purity: Moligand™ (as provided in Product Data).
What Moligand implies (general context)
Moligand items are positioned as small-molecule/ligand library members intended for discovery workflows (e.g., target ID, HTS, fragment/lead exploration). Typical expectations include analytical verification of identity and purity per lot via CoA (e.g., HPLC/UPLC purity, MS, and where applicable NMR). However, for this specific item, exact methods/thresholds are Not specified for this item; refer to CoA/Spec Sheet.
Item-specific details
Purity: Not specified for this item; refer to CoA/Spec Sheet.
Residual solvents/water, counterion/salt form, and stabilizers: Not specified for this item; refer to CoA/Spec Sheet.
Optical purity (if chiral): Not specified for this item; refer to CoA/Spec Sheet.
Practical quality notes
For screening applications, confirm the lot purity and identity with the CoA before use in biological assays or SAR decisions.
If your workflow is sensitive to UV background or fluorescence, request/consult UV–vis spectra or chromatographic baseline data from the CoA/Spec Sheet.
For replicability across campaigns, maintain consistent lot usage and document any reformatting steps (dissolution solvent, concentration, and plate source wells).
Reaction and Applications
Reaction chemistry applicability is limited without the structure. As a Moligand library member, NiK-21273 is primarily intended for screening and discovery rather than as a classical reagent or solvent.
Discovery-oriented applications (general)
Biochemical/biophysical screens: Evaluate as a test ligand in enzyme, receptor, or protein–protein interaction assays (HTS, DSF/thermal shift, microscale thermophoresis, SPR, ITC), subject to your assay design.
Cell-based phenotypic screens: Test for pathway modulation in reporter or viability assays at a range of concentrations (commonly 0.01–50 µM), keeping DMSO within acceptable limits.
Chemoproteomics/affinity workflows: If the compound is derivatizable (unknown here), it may serve as a starting point for probe development after structure verification.
Analytical considerations
Confirm identity and purity for your lot before screening (LC–MS/HPLC). Track potential degradation by re-running analytics on aged solutions.
Synthetic chemistry note
In the absence of a structure, no specific named reactions or transformations can be recommended. If you intend to derivatize this scaffold, obtain the full structure and consider functional-handle mapping to plan cross-couplings, amide couplings, or heterocycle modifications as appropriate.
Reaction Conditions
No reaction or transformation conditions can be recommended specifically for NiK-21273 without a known structure.
General guidance relevant to screening compounds (not product specifications)
If derivatization is planned, begin with microscale scouting (≤0.05 mmol) across standard conditions tailored to detected functional groups once the structure is known (e.g., amide couplings with HATU/EDC; cross-couplings with Pd catalysts; reductive amination with NaBH3CN/borohydrides under mild acid).
Monitor reactions by LC–MS for rapid cycle times; avoid conditions that may racemize chiral centers or degrade sensitive motifs (nitro, diazo, peroxide-prone groups, etc.).
For photochemical or electrochemical methods, verify UV–vis absorption or redox windows experimentally before scaling.
Stability checks
Prior to any chemistry or long incubations, run stress tests in intended media (temperature, light exposure, pH) and assess by LC–MS to identify degradation pathways.
Safety and Handling
Hazard and classification data are not provided in the Product Data; handle conservatively as a research chemical of unknown hazard profile.
GHS and hazard statements
Signal word: Not specified for this item; refer to SDS.
H-statements: Not specified for this item; refer to SDS.
GHS classification and pictograms: Not specified for this item; refer to SDS.
General laboratory precautions (guidance; defer to SDS)
Use in a chemical fume hood. Avoid inhalation, ingestion, and skin/eye contact.
Wear appropriate PPE: lab coat, nitrile gloves, and eye protection; upgrade PPE if aerosol, dust, or splash risk is present.
Prevent environmental release; collect waste as organic laboratory waste unless your SDS dictates otherwise.
Avoid incompatible conditions until known (strong oxidizers/reductants, strong acids/bases, and reactive metals may be problematic depending on structure).
First-aid overview (general)
Skin/eye contact: Rinse with water for ≥15 minutes; remove contaminated clothing; seek medical attention if irritation persists.
Inhalation: Move to fresh air; medical evaluation if symptoms occur.
Ingestion: Rinse mouth; do not induce vomiting; seek medical advice.
Spill & storage
Small spills: Absorb with inert material, collect in a chemical waste container, ventilate area.
Storage: See Storage & Reconstitution. Always consult the SDS for authoritative safety measures for your specific lot.
Solvent Selection
Because the structure and polarity of NiK-21273 are not provided, solvent choice should follow a stepwise screening approach typical for library compounds.
Recommended sequence (general guidance)
Primary solvent: DMSO (anhydrous) for stock solutions (e.g., 10–50 mM). Verify clarity and absence of precipitate after standing 30–60 min.
Polar aprotic backups: DMF, acetonitrile. Useful when DMSO solubility is inadequate.
Protic/polar options: Methanol, ethanol, isopropanol—for short-term dissolution followed by dilution into aqueous buffers.
Aqueous work: Dilute into PBS, HBSS, or assay buffer while keeping DMSO ≤0.1–1% v/v depending on assay tolerance; add 0.01–0.05% nonionic surfactant if precipitation occurs (validate compatibility).
Small comparison (general)
DMSO: Highest solvency for diverse chemotypes; biologically tolerated at low %; hygroscopic.
DMF/ACN: Good solvency; more volatile than DMSO; consider cytotoxicity/assay constraints.
Warm gently (25–37°C) and vortex/sonicate to accelerate dissolution; avoid heating above 40–50°C without stability data.
Filter through 0.2 µm PTFE if particulates persist (confirm no adsorption losses).
Record the exact solvent system used to ensure reproducibility across plates and replicate experiments.
Storage and Reconstitution
Storage conditions (from Product Data)
Storage: Room temperature.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
General guidance (not product specifications; adopt after verifying stability of your lot)
Keep container tightly closed in a dry place, protected from excessive heat and light. Use a desiccant if hygroscopicity is suspected.
Reconstitution: Dissolve in anhydrous DMSO to prepare a convenient stock (e.g., 10–50 mM). If aqueous stocks are required, determine solubility limits experimentally.
Aliquoting: Prepare single-use aliquots to avoid repeated freeze–thaw and moisture ingress. Label aliquots with lot, concentration, and date.
Short-term storage of solutions: 2–8°C for hours to days depending on stability; monitor for precipitation.
Longer-term storage of DMSO stocks: Many small-molecule stocks are kept at −20°C to −80°C; confirm compatibility to avoid precipitation upon thaw (thaw at room temperature and vortex).
Always defer to the product’s CoA/Spec Sheet and SDS for lot-specific storage compatibility, stability, and reconstitution instructions.
Structure and Identity
Overview: NiK-21273 (SKU: N612301) is listed within Aladdin’s Moligand small-molecule/compound library collection. Item-specific structural identifiers are limited in the provided Product Data.
Chemical name: Not specified for this item; refer to CoA/Spec Sheet.
CAS: N612301 (catalog-associated identifier as provided; not a standard CAS RN)
PubChem CID: 24889797 (catalog cross-reference)
InChIKey: 434963 (truncated/short form as provided in Product Data)
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
Functional groups, ring systems, stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.
2D/line-bond description: Not available from the provided data.
Notes for users
If you require definitive identifiers (complete InChIKey, SMILES, exact structure), please consult the item’s CoA/Spec Sheet or authoritative databases using the provided CID cross-reference. Any structural reasoning, reactivity prediction, or physicochemical modeling should be based on the verified structure for your lot.
Because this item belongs to a screening/ligand library (Moligand), it is intended for discovery workflows where compound identity and purity are documented per lot via analytical certificates.
Synthetic Utility
Synthetic planning for NiK-21273 cannot be detailed without a disclosed structure.
General considerations if using as a scaffold (after structure verification)
Map functional handles (e.g., aryl halides for cross-coupling, amines/acids for amide formation, alcohols for etherification/esterification, heterocycles for N-oxidation or annulation).
Apply parallel synthesis for rapid SAR: amide coupling matrices, Buchwald–Hartwig or Suzuki couplings, reductive amination libraries.
Consider late-stage functionalization to access analogs without full resynthesis (C–H activation, Minisci-type alkylations on heteroarenes, photoredox-enabled transformations) where compatible with the scaffold.
Analytical control
Use LC–MS and NMR to confirm each analog; establish a robust purification workflow (flash chromatography or preparative LC) with orthogonal purity checks (UV at multiple wavelengths, ELSD/charged aerosol detection if chromophore-poor).
Caveat
Do not commence synthetic derivatization or route scouting until the exact structure, salt form, and stereochemistry (if any) are confirmed for your supplied lot.
Target Specificity
Target, epitope, clone, isotype, and species reactivity data are not applicable to this small-molecule library item and are not provided in the Product Data.
Target/biological specificity: Not specified for this item; refer to CoA/Spec Sheet and your screening results.
No antibody/biologic attributes apply to NiK-21273.
Perguntas frequentes
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 N612301. InChIKey YEDOPHDWRSVQOP-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.
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O nosso guia de seleção de graus abrange pureza, estado do estabilizador e adequação à aplicação para todas as variantes do nosso catálogo.
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