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품질 문서
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문헌적 근거
크로마토그래피, 유기 합성 및 교차 커플링 반응 분야의 동료 심사 논문 0편에서 인용되었습니다.
개요
Product description
QS11 is an inhibitor of ARFGAP1 (ADP-ribosylation factor GTPase-activating protein 1), with an EC50 of 1.5 µM. QS11 modulates Wnt/β-catenin signaling through an effect on protein trafficking. QS11 inhibits migration of ARFGAP overexpressing breast cancer cells.
Potent GTPase activating protein of ADP-ribosylation factor 1 (ARFGAP1) inhibitor (EC 50 = 0.5 μM). Wnt/β-catenin pathway modulator. Antitumor agent. Active in vitro .
보관 조건
Protected from light,Store at -20°C
배송
Ice chest + Ice pads
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참고
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
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.
Soluble in DMSO to 100 mM and in ethanol to 100 mM
감도
light sensitive
분자량
567.700 g/mol
XLogP3
7.600
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
10
Exact Mass
567.263 Da
Monoisotopic Mass
567.263 Da
Topological Polar Surface Area
85.100 Ų
Heavy Atom Count
43
Formal Charge
0
Complexity
841.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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리뷰
고객 리뷰
Application Protocols
No tested application protocols are provided in the Product Data for this compound. The following are general, non–item-specific guidelines suitable for many small-molecule screening compounds:
Stock preparation: Weigh accurately, dissolve in anhydrous DMSO to a convenient concentration (e.g., 10–50 mM), vortex and, if needed, sonicate briefly. Verify clarity and concentration by UV or quantitative NMR where appropriate.
Aliquoting: Dispense single-use aliquots in amber vials or PCR strips to minimize freeze–thaw and light exposure.
Assay dosing: Dilute into assay medium to the desired final concentration, keeping vehicle (DMSO) constant across wells (commonly ≤0.5–1% v/v). Include vehicle-only controls.
Stability checks: Assess short-term stability in assay medium and long-term stability of frozen stocks by LC–MS/HPLC at set intervals.
Data quality: Include counter-screens for fluorescence/absorbance interference and aggregation (e.g., detergent controls, dynamic light scattering if needed).
These instructions are generic; optimize for your specific assay and confirm compatibility with QS11 experimentally.
Biological Roles
No item-specific biological mechanism or target information is provided in the Product Data for QS11. The notes below outline how small-molecule probes are commonly positioned in research; consult primary literature indexed by CAS 944328-88-5 for definitive mechanism and targets.
Role in research: Small molecules like QS11 are typically used as chemical probes or hits in phenotypic or target-based assays to modulate pathways of interest and generate structure–activity relationships (SAR).
Pathways/processes: Without confirmed target data, it is inappropriate to assign QS11 to a specific pathway. Researchers should identify peer-reviewed reports for this exact CAS and verify the structure and claimed bioactivities.
Assay deployment: Commonly evaluated in cell-based reporter assays, biochemical enzyme panels, or binding assays (e.g., SPR/DSF/ITC) after confirming compound integrity and purity.
Controls and benchmarking: Include orthogonal assay formats to corroborate activity and de-risk assay artifacts (e.g., aggregation, redox cycling, fluorescence interference). Use pan-assay interference filters (PAINS) and detergent controls as appropriate.
Important: Any biological activity reported in external literature should be validated independently under your lab’s conditions and with the same compound identity (CAS, lot) to ensure reproducibility. This product is for research use only.
Buffer Applications
QS11 is a small-molecule screening compound and is not a buffering reagent.
Buffer capacity/recipes: Not applicable.
Use in buffered systems: QS11 may be dosed into established buffers for assays; select buffers that do not chemically react with the compound and maintain low co-solvent percentages. Validate that the buffer composition does not precipitate or degrade the compound.
For practical work:
Prepare compound in DMSO (or suitable solvent) and dilute into assay buffer with mixing to avoid local supersaturation.
Verify stability in the chosen buffer over the assay timeframe by analytical QC (HPLC/LC–MS).
Green Alternatives
Green chemistry considerations are not directly applicable to this product as a screening compound rather than a process solvent or reagent. Nevertheless, the following practices can reduce environmental impact in research workflows:
Minimize DMSO usage by preparing higher-concentration master stocks and aliquoting into microvolumes to reduce waste.
Employ microscale assay formats (96/384/1536-well) to cut solvent and consumable consumption.
Choose greener co-solvents where compatible (e.g., ethanol or water-based vehicles) and keep DMSO fraction as low as assay design allows.
Implement closed, low-evaporation systems to reduce fugitive emissions from organic solvents during plate setup.
Dispose of residual stocks via appropriate hazardous waste streams; avoid drain disposal.
Comparison of solvent choices for assay preparation (general):
DMSO: high solvency and assay compatibility, but challenging waste profile.
Ethanol: better EHS profile; limited solvency for hydrophobic compounds.
Water/buffer with co-solvent: greenest matrix when chemically feasible.
For any scale-up synthesis of QS11 (if undertaken separately), consult green-chemistry guidelines to optimize solvent selection, reduce protecting-group use, and incorporate in-line analytics to minimize waste. These considerations are general and not item-specific.
Pharmaceutical Uses
No pharmacopeial status, excipient role, or manufacturing specification is provided for this item.
Regulatory status: Supplied strictly for research use only (non-GMP, non-clinical). Not for human or veterinary use.
Formulation context: In preclinical research, small molecules are often formulated for in vitro/in vivo studies; however, no formulation data for QS11 are provided here. If formulation studies are planned, develop de novo using solubility and stability profiling for this specific compound and follow institutional ethics/compliance frameworks.
Documentation: For any GLP-adjacent work, request extended analytical documentation (purity, identity, residual solvents, stability) for the specific lot.
Do not infer therapeutic utility or safety from the availability of this compound in a research catalog.
Physical Properties
Item-specific physicochemical specifications are not provided in the Product Data and should be confirmed on the batch CoA/SDS.
Appearance: 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/unknown for a solid research compound; 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: Not specified for this item; refer to literature or predictive QSAR tools.
pKa: Not specified for this item; consult literature if mechanistic studies require ionization data.
Refractive index: Not applicable for typical solids; not specified.
General laboratory considerations (literature/practice-based, not item-specific):
Small-molecule screening compounds are commonly prepared as concentrated stocks in anhydrous DMSO (e.g., 5–50 mM) and subsequently diluted into assay media; however, actual solubility limits should be established empirically for the specific batch.
If hygroscopicity or polymorphism is a concern, perform Karl Fischer moisture checks and DSC/TGA profiling as needed.
For light-sensitive compounds, minimize exposure using amber vials and low-light handling, consistent with the provided storage note (protect from light).
Quality and Grades
Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
Interpretation and guidance:
Research-use screening compounds are typically supplied with HPLC purity and identity confirmation (LC–MS and/or NMR). In the absence of a stated grade, consult the CoA for the specific batch to determine: assay purity (%), residual solvent profile, and analytical conditions used.
If low-UV applications (e.g., LC at 210–254 nm) are planned, request an HPLC trace to ensure no co-eluting UV-active impurities interfere with quantitation.
For bioassays, endotoxin/bacterial burden is generally not controlled for small molecules; if sensitive cellular systems are used, consider additional purification or sterile filtration of working solutions.
Stabilizers/inhibitors: Not specified for this item; if present, they will be listed on the CoA. The presence of stabilizers can affect bioassay readouts and should be accounted for in controls.
Batch-to-batch verification (recommended):
Confirm identity by LC–MS exact mass and retention time match to prior lots.
Verify purity via orthogonal methods (HPLC-UV and, if needed, qNMR).
Record water content (Karl Fischer) if hygroscopicity could impact dosing accuracy.
Reaction and Applications
This product is a cataloged small-molecule screening compound and is not typically used as a synthetic reagent or catalyst.
Synthetic reaction participation: Not generally applicable. Without a disclosed functional group set, it is inappropriate to recommend named reactions or transformations.
Recommended use domain: Chemical biology, assay development, and screening workflows where QS11 is evaluated as a test article.
Practical guidance for research applications (general, non–item-specific):
Prepare a DMSO stock solution at a convenient concentration (e.g., 10 mM), confirm solubility visually and by LC–MS.
Perform stability checks (1–7 days) under intended storage/assay conditions by LC–MS/HPLC to rule out degradants that could confound results.
Include vehicle controls at the same DMSO percentage and, if applicable, heat-inactivated/aged-compound controls to probe mechanism vs. artifacts.
For cell-based assays, pre-screen cytotoxicity across a wide concentration range to define a safe working window before mechanistic readouts are attempted.
If synthetic derivatization is intended:
Obtain full structural information from literature (by CAS) and evaluate sites amenable to tagging (e.g., photoaffinity or biotin handles) for target ID workflows. Validate that modifications retain activity via SAR mini-panels.
Reaction Conditions
Not applicable. QS11 is supplied as a research-use small molecule rather than a reagent or catalyst, and the Product Data do not disclose functional groups to support reaction planning.
General guidance if chemical modification is undertaken (not item-specific):
Establish full structure and functional group inventory from peer-reviewed sources (CAS 944328-88-5) before planning any transformations.
Run micro-scale feasibility studies to assess stability toward acids/bases, oxidants/reductants, and common coupling conditions.
Monitor reactions by LC–MS for rapid feedback on conversion and stability of the core scaffold.
Because no structure or reactivity profile is provided, specific temperatures, catalysts, or yields are not recommended here.
Safety and Handling
Safety information specific to this item is not provided in the Product Data and must be taken from the SDS for the shipped batch.
GHS classification: Not specified for this item; refer to SDS.
Signal word / H-statements / Pictograms: Not specified for this item; refer to SDS.
Handling guidance (general laboratory best practice):
PPE: Wear lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Use in a certified fume hood to avoid inhalation exposure to dusts or aerosols.
Storage incompatibilities: Segregate from strong oxidizers and acids/bases unless compatibility is verified. Maintain desiccation for moisture-sensitive solids. Protect from light as indicated.
First-aid overview: In case of skin/eye contact, rinse with water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air; if ingested, do not induce vomiting—seek medical attention. Follow SDS instructions.
Spill and disposal: Avoid dust generation; absorb/collect using inert material. Dispose of waste according to institutional and local regulations for organic laboratory chemicals.
Special risks and precautions:
Unknown hazard profile: Treat as potentially harmful. Avoid repeated exposure and practice single-use aliquoting to minimize handling.
Light- and temperature-sensitivity: Product data specifies “Protected from light, Store at -20°C”; use amber containers and minimize freeze–thaw cycles.
Solvent Selection
Item-specific solubility data are not provided. The guidance below reflects common practice for small-molecule library compounds; verify experimentally for QS11 (CAS 944328-88-5).
Primary stock solvent (practice-based): Anhydrous DMSO is typically preferred for concentrated stocks due to broad solvating power and compatibility with biochemical assays after dilution.
Alternative solvents (if compatible with structure): DMF, acetonitrile, or ethanol may be considered; use co-solvent strategies for aqueous dosing (e.g., DMSO ≤0.5–1% v/v in final assay media) to limit vehicle effects.
Aqueous media: Direct dissolution in water or buffers depends on ionizable functional groups; without structural data, assume limited aqueous solubility and test empirically.
Decision tips (general):
Start with small-scale solubility screens at intended working concentrations (e.g., 1–100 µM in assay medium; 1–10 mM in DMSO for stocks).
Filter sterilize working solutions (0.22 µm PTFE) only if the compound is stable and non-adsorptive under those conditions.
Avoid protic solvents if the compound contains labile functionalities (e.g., acid-sensitive acetals) — confirm by NMR stability checks.
Quick comparison (general characteristics):
DMSO: highest solvency; may affect some assays at >1%.
DMF/MeCN: good solvency; consider cytotoxicity and volatility (MeCN).
EtOH: more biocompatible vehicle; lower solvency for hydrophobic scaffolds.
Storage and Reconstitution
Item-specific storage (from Product Data):
Storage conditions: Protect from light; store at −20°C.
Shipping: Ice chest + ice pads to maintain low temperature.
Reconstitution and handling (general best practice; not item-specific):
Upon receipt, allow the sealed container to equilibrate to room temperature in a desiccator before opening to avoid moisture condensation.
Reconstitution: Dissolve in anhydrous DMSO (or another validated solvent) to prepare concentrated stocks. Filter only if necessary and if no adsorption or degradation occurs.
Aliquoting: Prepare single-use, light-protected aliquots (amber vials or foil-wrapped tubes) to minimize freeze–thaw and photodegradation.
Working solution stability: Confirm by LC–MS/HPLC over the expected assay time course; discard if precipitation or degradation is observed.
Freeze–thaw: Avoid repeated cycles. Store aliquots at −20°C or below. For long-term storage, consider −80°C if the compound is known to be stable there (verify experimentally).
Note: Appearance, purity grade, molecular weight, and formula are not specified here and must be taken from the batch CoA/Spec Sheet. Always consult the SDS for definitive safety and handling information.
Structure and Identity
Brief overview: QS11 (SKU Q274976) is supplied as a research-use small molecule library compound. Definitive structural descriptors are not provided in the product record.
Product name: QS11 (research chemical)
CAS: 944328-88-5
InChIKey: 68719 (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 features (general guidance):
Functional group, ring systems, stereochemistry: Not specified for this item; consult primary references by CAS or the Certificate of Analysis.
2D structure description: Not available in the supplied data. If structural elucidation is required, source the structure from peer-reviewed literature indexed by CAS 944328-88-5 or trusted databases and verify against the product’s CoA.
Notes on identity verification (general best practice):
Confirm identity via orthogonal methods (e.g., LC–MS with exact mass match, 1H/13C NMR, and HPLC purity) using literature/computed reference spectra for the specific structure reported under CAS 944328-88-5.
Align any retrieved identifiers (InChI, SMILES, synonyms) with the batch CoA to avoid mix-ups among similarly named screening probes.
Synthetic Utility
QS11 is offered as a finished small-molecule screening compound rather than a synthetic building block.
Building-block use: Not typically applicable without disclosed functional groups. Using QS11 as a precursor or intermediate is not advised unless its structure and reactivity are fully established from primary sources.
Derivatization for probe development (general guidance): If target identification is pursued, obtain the exact structure from literature (by CAS 944328-88-5) and map positions tolerant to modification for installing affinity or photo-crosslinking tags. Validate retained activity through SAR.
Analytical characterization for any modifications: Employ full spectroscopic and chromatographic characterization (1H/13C NMR, HRMS, HPLC) and, if needed, purity by qNMR to ensure dose accuracy in biological assays.
In the absence of item-specific structural data, recommending named reactions or conditions would be speculative and is therefore omitted.
Target Specificity
Target/epitope/clone information applies to biological macromolecules (e.g., antibodies) and is not provided for this small-molecule product.
Target, pathway, species reactivity: Not specified for this item; consult primary literature for QS11 (CAS 944328-88-5) if a specific molecular target has been described.
Any claims of specificity should be validated independently using orthogonal assays and counter-screens to exclude assay interference.
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.
C23021044