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 tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
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
Item-specific (Product Data)
No validated protocols are provided for NS11757. Not specified for this item; refer to CoA/Spec Sheet and your laboratory’s SOPs.
General example workflows for screening compounds (for illustration; adjust to your assay)
Stock preparation
Weigh compound quickly in a fume hood.
Prepare a 10–50 mM stock in anhydrous DMSO. Vortex and, if needed, sonicate briefly. Record exact concentration.
Biochemical assay dosing
Serially dilute the DMSO stock in DMSO to create an 8–10 point curve (e.g., 3-fold dilutions). Spike into assay buffer to achieve final DMSO ≤1% v/v.
Include positive/negative controls and a detergent (e.g., 0.01–0.05% Tween-20) to mitigate aggregation artifacts.
Cell-based assay dosing
Prepare intermediate dilutions in complete media containing ≤0.1–0.5% DMSO. Confirm cell tolerance to vehicle.
Data quality checks
Monitor for precipitation (visual inspection or light scattering). Confirm top-concentration recovery by LC-MS if feasible.
Run interference controls (absorbance/fluorescence overlap, redox activity).
These are general practices and not item-specific recommendations. Always adapt to your assay system and consult the SDS/CoA.
Biological Roles
Item-specific (Product Data)
No target, pathway, or mechanism is provided for NS11757. Not specified for this item; refer to CoA/Spec Sheet or screening documentation.
General context for screening compounds
Library members may span diverse chemotypes with potential interactions across enzymes, receptors, transporters, or protein–protein interfaces. Any “biological role” is hypothetical until validated by robust assays and orthogonal methods.
Early hits should be evaluated for liabilities such as pan-assay interference (PAINS), colloidal aggregation, redox activity, metal chelation, and fluorescence/absorbance interference.
If phenotypic effects are observed, undertake target deconvolution using chemoproteomics, CRISPR knockouts/knockdowns, thermal proteome profiling, or affinity probes once the structure is known and derivatizable.
Cautions
No medical, diagnostic, or therapeutic use is implied; for research use only.
Do not ascribe mechanism or pathway modulation to NS11757 without rigorous confirmation, including concentration–response relationships, counter-screens, and artifact controls.
Buffer Applications
NS11757 is a small-molecule screening compound rather than a buffering agent. Therefore, conventional buffer system formulation (e.g., phosphate, Tris, HEPES) is not applicable to the compound itself.
Practical notes for assay buffers (general guidance)
Prepare concentrated NS11757 stocks in an appropriate organic solvent (commonly DMSO), then dilute into your assay buffer under vigorous mixing to prevent precipitation.
Maintain DMSO at the lowest concentration compatible with solubility and assay robustness (often ≤0.5–2% v/v).
Include nonionic detergents (e.g., 0.01–0.05% Tween-20 or Triton X-100) when screening to suppress colloidal aggregation artifacts.
Filter or centrifuge assay mixes to remove particulates if precipitation is suspected; confirm final concentration by LC-MS/UV where feasible.
Item-specific buffer compatibility and pH stability: Not specified for this item; refer to CoA/Spec Sheet.
Green Alternatives
This section is typically relevant when the product is a solvent or reagent. NS11757 is a screening library small molecule and not used as a process solvent or common reaction auxiliary.
Applicability
Green substitution strategies do not directly apply to the compound itself. Instead, focus on greener choices for solvents and assay media used with NS11757.
General guidance (green chemistry context)
Prefer water-based assay buffers with minimal co-solvent. When organic stock solutions are necessary, DMSO is widely used; manage volumes to ≤0.5–1% v/v where assay-compatible.
For synthetic follow-up or analytical sample prep involving NS11757, consider greener solvents (e.g., 2-MeTHF, CPME, EtOAc, MeOH, water) over chlorinated solvents when method-appropriate. Balance with analyte solubility and assay constraints.
Reduce waste by preparing right-sized aliquots to avoid discard of aged solutions and minimize freeze–thaw degradation.
Waste and EHS
Collect DMSO/organic solvent waste per institutional rules; avoid drain disposal. Assess any halogenated solvent use carefully and segregate streams.
Item-specific green metrics (E-factor, solvent inventory impact, toxicity bands) are Not specified for this item; refer to CoA/Spec Sheet if provided.
Pharmaceutical Uses
This product is supplied strictly for research use and is not an approved pharmaceutical substance or excipient.
Item-specific (Product Data)
Research Use Note: For research use only.
General context (non-clinical)
Screening compounds like NS11757 may be used in discovery workflows (e.g., target validation, SAR exploration) but are not manufactured under GMP nor intended for human or veterinary administration.
No pharmacopeial monograph or excipient status is indicated. Any discussion of dosage forms, ADME, or clinical applications would be inappropriate without comprehensive safety and regulatory data.
Establish compound quality attributes and impurity profiles prior to any advanced nonclinical testing. These steps fall outside the scope of this catalog item.
Item-specific regulatory or pharmacopeial status: Not specified for this item; refer to CoA/Spec Sheet.
Physical Properties
Item-specific (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.
Literature/computed values
Boiling point, melting point, density, refractive index, logP, pKa, and solubility parameters are not available from the Product Data. Without a structure or confirmed identity, literature values cannot be responsibly assigned. Not specified for this item; refer to CoA/Spec Sheet.
General chemistry knowledge (applicable to small-molecule screening compounds)
Physical state: Library compounds are commonly supplied as dry powders/films or as DMSO stock solutions (e.g., 10 mM). Verify your lot’s physical state on the label or CoA.
Solubility practices: For unknown heteroaromatic drug-like molecules, first-line solvents are anhydrous DMSO or DMF; co-solventing into aqueous buffers typically requires serial dilution to keep final DMSO ≤1–2% v/v for biochemical assays. If precipitation occurs, gentle heating (≤40 °C), sonication, or adding a small fraction of co-solvent (MeCN, ethanol) can help. These are general practices; do not infer specific solubility for NS11757.
Hygroscopicity: Some library compounds can be moisture-sensitive; open vials briefly and cap promptly. Confirm with CoA if any special handling is required.
Always defer to the lot-specific CoA/Spec Sheet for definitive physical property information.
Quality and Grades
Item-specific (Product Data)
Grade: Moligand
Category: Small molecules and compound libraries (screening compounds)
What Moligand grade generally signifies (general guidance)
Intended for discovery research workflows (HTS, hit validation, medicinal chemistry triage), emphasizing identity and utility for biochemical/cellular assays rather than analytical reagent roles.
Typically supported by documentation such as CoA with purity by LC/UPLC or HPLC and structure confirmation (e.g., MS, possibly NMR). For this specific item, exact purity, UV cutoff, metal content, water/peroxide limits, and stabilizers are Not specified for this item; refer to CoA/Spec Sheet.
Quality considerations for screening compounds (general knowledge)
Purity for screening: Many groups target ≥95% by LC at a defined wavelength; however, acceptable thresholds depend on assay context. Confirm the value on the CoA for NS11757.
Identity: Verified by HRMS/ESI-MS and sometimes 1H NMR; stereochemistry confirmation where relevant. Lot-to-lot consistency should be monitored.
Counter-screens for assay interference: Consider PAINS/REOS filters, redox cycling tests, colloidal aggregation (detergent sensitivity), and fluorescence interference checks. These are user-implemented quality gates not implied by the product grade.
Documentation and traceability
Retain the bottle label, batch number, and any SDF/analytical reports provided. If required for regulated environments, request expanded analytical packages prior to use.
Reaction and Applications
Item-specific (Product Data)
Manufacturer Applications: Not specified in the listing beyond inclusion in a small-molecule/compound library for research. For research use only.
Typical applications for Moligand library members (general guidance)
Primary use: Chemical biology and drug discovery screening (biochemical/biophysical assays, cell-based phenotypic screens, target deconvolution studies).
Hit triage: SAR-by-purchase or rapid analoging, orthogonal assay confirmation, counterscreens for selectivity and assay interference.
Biophysical methods: DSF/TSA, MST, SPR, ITC to assess binding; ensure compound quality (purity, aggregation state) prior to measurements.
Analytical support: LC-MS for tracking compound integrity in assay buffers; stability studies under incubation conditions (e.g., 37 °C, presence of reductants).
Not typically a synthetic reagent
NS11757 is not presented as a building block or reagent. Absent structural disclosure, synthetic transformations or named-reaction roles cannot be specified for this item.
Practical tips (general)
Prepare fresh DMSO stocks as needed; aliquot to avoid freeze–thaw of solution stocks if frozen.
Include controls to detect colloidal aggregation (detergent sensitivity, dynamic light scattering) and redox cycling.
Track lot numbers meticulously across screening plates to correlate activity with analytical verification.
For any reaction chemistry involving this molecule (e.g., derivatization), request structure and stability details from the supplier before planning.
Reaction Conditions
This section is most relevant when the item serves as a reagent or substrate in planned chemical reactions. NS11757 is supplied as a screening compound; no reaction use is specified.
Item-specific (Product Data)
Reaction conditions, catalysts, and transformation scope: Not specified for this item; refer to CoA/Spec Sheet.
General notes (if downstream chemistry is contemplated once structure is known)
Stability scouting: Evaluate stability across pH 2–10, oxidative/reductive environments, and temperatures from 4–60 °C before attempting synthesis or derivatization.
Solvent choices: Begin with polar aprotic media (DMSO, DMF, MeCN) for small-scale modifications; adjust based on solubility once the structure is known.
Analytical tracking: Monitor by LC-MS; confirm identity of products by MS and NMR as soon as reactive handles are identified.
If your intended use involves chemical modification, request the detailed structure and any existing synthetic route notes from the supplier to define safe and effective reaction conditions.
Safety and Handling
Item-specific (Product Data)
GHS Classification: Not specified for this item; refer to SDS.
Signal Word / H-Statements / Pictograms: Not specified for this item; refer to SDS.
Storage Conditions: Room temperature (as provided). Protect from excessive heat, direct sunlight, and moisture unless otherwise noted on the label.
General safety guidance for small-molecule research compounds
PPE: Wear lab coat, safety glasses, and appropriate chemically resistant gloves. Avoid inhalation of dust/aerosols and contact with skin/eyes.
Handling: Work in a fume hood. Minimize exposure by weighing quickly and recapping immediately. If provided in DMSO, avoid skin contact; DMSO can enhance dermal absorption of solutes.
Incompatibilities: Unknown for this item; avoid strong oxidizers and strong acids/bases until specific data are available.
First aid (overview; defer to SDS): In case of skin/eye contact, rinse with water for at least 15 minutes. If inhaled, move to fresh air. If ingested, rinse mouth; seek medical attention. Provide SDS to responders.
Spills: Absorb with inert material, avoid dust generation, and dispose of according to institutional chemical waste procedures.
Special risks
No peroxide-forming or pyrophoric behavior is indicated in the Product Data. Treat as a generic organic solid/solution unless the SDS specifies otherwise.
Always consult the lot-specific SDS for authoritative hazard, exposure limits, and disposal instructions. For research use only.
Solvent Selection
Because NS11757’s structure and solvation profile are not disclosed here, solvent choice should follow best practices for unknown drug-like small molecules.
Item-specific (Product Data)
No solubility or solvent recommendations are provided. Not specified for this item; refer to CoA/Spec Sheet.
General guidance (literature/practice)
Primary stock solvent: Anhydrous DMSO is the default for screening compounds due to broad solvating power and assay compatibility at low final %.
Secondary options: DMF and NMP (higher boiling, hygroscopic) for difficult solutes; MeCN or ethanol for more lipophilic/less polar molecules. Water-only dissolution is rarely successful without ionizable groups.
Aqueous workup: For biochemical assays, prepare a concentrated DMSO stock (e.g., 10–50 mM) and serially dilute into assay buffer, keeping final DMSO ≤0.5–2% v/v depending on assay tolerance.
pH adjustment: If the compound is weakly basic/acidic (unknown here), modest pH shifts (pH 6–8) can influence solubility. Avoid extreme pH unless stability data are available.
Order of addition: Add organic stock into vigorously mixed buffer to minimize local supersaturation and precipitation.
Small comparison (general)
DMSO vs DMF: DMSO offers better biocompatibility; DMF may solubilize slightly more but is less favored in live-cell assays.
MeCN/EtOH co-solvents: Useful in analytical prep and some enzymatic assays at ≤1% v/v; monitor for enzyme inhibition or cell toxicity.
Always verify solvent compatibility with your specific assay and confirm any item-specific notes on the CoA.
Storage and Reconstitution
Item-specific (Product Data)
Storage Conditions: 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.
Reconstitution (general guidance for screening compounds)
If supplied as a solid: Equilibrate to room temperature before opening. Prepare a concentrated stock in anhydrous DMSO (e.g., 10–50 mM), vortex to dissolve; gentle warming (≤40 °C) or brief sonication may assist. Filter if particulates persist and compatible with downstream use.
If supplied as a DMSO solution: Inspect for crystallization or phase separation; warm to room temperature and vortex to re-dissolve. Avoid moisture ingress.
Aliquoting: Divide stocks into single-use aliquots to minimize freeze–thaw if you choose to store solutions at low temperature.
Solution storage (general)
DMSO stocks are commonly stored at −20 °C to 4 °C protected from light; verify stability for your application. Track age-on-inventory and avoid long-term storage without stability data.
Prevent water uptake by using dry, inert-atmosphere conditions when practical and capping promptly.
Shelf life and stability
Lot-specific stability, hygroscopicity, and light sensitivity are Not specified for this item; refer to CoA/Spec Sheet.
For research use only. Defer to the SDS for detailed handling and hazard information.
Structure and Identity
Brief overview: This listing corresponds to a Moligand small‑molecule library member intended for research screening. Minimal structural metadata are available in the Product Data.
Item-specific (Product Data)
Product Name: NS11757 (SKU: N612398)
CAS: N612398 (internal/catalog identifier; not a standard CAS Registry Number)
PubChem CID: 25102784 (as provided)
InChIKey: 160570 (note: not in conventional 27-character 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.
Grade: Moligand
Structural features
With no published structure or SMILES in the Product Data, functional groups, ring systems, and stereochemistry cannot be described. Not specified for this item; refer to CoA/Spec Sheet.
Identifiers & traceability
For cross-referencing, use the SKU (N612398) and internal name (NS11757). If a structure file (SDF/MOL) is required for screening platforms, request the compound plate map or SDF from the supplier.
2D structure description (general guidance)
Absent a disclosed structure, treat NS11757 as an unknown small molecule. Any informatics integration (ELN/LIMS) should store the item by catalog ID and external CID (25102784) where applicable, and update once structural data are confirmed from the CoA/SDF.
Synthetic Utility
NS11757 is offered as a screening library compound rather than as a synthetic building block or reagent.
Item-specific (Product Data)
No functional group data, reactivity, or protecting group information is provided. Not specified for this item; refer to CoA/Spec Sheet.
General guidance
Without a disclosed structure, retrosynthetic analysis, named-reaction participation, or derivatization strategies cannot be responsibly proposed.
If analog synthesis or tagging is desired (for SAR or chemoproteomics), request the structure and any stability constraints (e.g., acid/base sensitivity, redox lability) from the supplier. Confirm availability of reactive handles (e.g., amines, acids, halides) before planning.
For analytical method development (LC-MS, HPLC), start with reversed-phase gradients (water/MeCN or water/MeOH with formic acid or ammonium formate) and tailor to observed retention and ionization behavior.
Alternatives
Consider sourcing close analogs within the Moligand collection where structures and handles are disclosed, enabling more straightforward synthetic elaboration.
Until structural information is furnished, treat NS11757 as a final screening entity rather than a synthetic intermediate.
Target Specificity
Item-specific (Product Data)
No biological target, selectivity panel, or mode-of-action information is provided for NS11757. Not specified for this item; refer to CoA/Spec Sheet or screening report.
General guidance
Establish specificity through orthogonal assays and counterscreens (e.g., related enzyme isoforms, receptor family members) and use chemical controls.
Employ biophysical binding confirmation (SPR, ITC, MST) and thermal stabilization assays. Consider chemoproteomic pulldown or CETSA/TPP in cells for target engagement once derivatization is feasible.
No antibody/biologic attributes (clone, isotype, species reactivity) apply to this small-molecule product.
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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