SN34037 , CAS No.1548116-54-6

CAS: 1548116-54-6 Cat. No.: S1438710 Formule: C₁₅H₁₉Cl₂N₃O₂ Poids moléculaire: 344.24

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

SN34037 is a specific inhibitor of Aldo-keto reductase 1C3 (AKR1C3, EC 1.1.1.188) with the ability to inhibit the cytotoxic activity of PR-104A. SN34037-sensitive coumberone reduction provides a rapid and specific assay for AKR1C3 activity. SN34037 inhibits the aerobic cytotoxicity of PR-104A in TF1 erythroleukemia cells with high AKR1C3 expression, but not in Nalm6 pre-B acute lymphoblastic leukemia cells with low AKR1C3 expression.

Spécifications

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Poids moléculaire

344.24

Application Protocols

Item-specific facts

• No tested applications or protocols (e.g., assay types, recommended concentrations) are provided in the Product Data.

General screening workflow (non-item-specific)

• Stock preparation: Dissolve in anhydrous DMSO to a convenient concentration (e.g., 10–50 mM), vortex and, if needed, sonicate briefly. Filter (0.2 μm) or centrifuge to remove particulates.
• Plate handling: Dispense using calibrated acoustic or liquid handlers. Include vehicle controls at matched DMSO %. Seal plates to minimize evaporation.
• Assay execution: Titrate across 8–12 points (half-log or 3-fold dilution). Keep final DMSO within tolerance of the assay system (often ≤0.1–1%).
• Data quality: Include positive and negative controls, Z′ factor monitoring, and replicate wells. Inspect for precipitation or edge effects.
• Confirmation: Re-prepare a fresh stock from an independent aliquot for hit confirmation. Verify identity/purity by LC–MS prior to follow-up.

Not specified for this item; refer to CoA/Spec Sheet

• Any product-specific concentration ranges, incubation times, or validated methods are not available for this item.

Biological Roles

Item-specific facts

• No target, pathway, or mode-of-action information is provided for SN34037 in the Product Data.

General guidance

• As a member of a small-molecule library, SN34037 should be regarded as a chemical probe candidate with unknown biological roles until experimentally determined. Any observed activity must be confirmed with orthogonal assays and structure–activity relationship (SAR) exploration where possible.

Best practices in biological evaluation (general)

• Target-based screening: Measure potency (IC50/Ki/EC50) alongside counterscreens to detect nonspecific effects (e.g., aggregation, redox cycling, membrane disruption). Employ detergent controls to mitigate colloidal aggregation artifacts.
• Phenotypic assays: Use imaging or transcriptomic readouts with careful vehicle matching. Confirm reproducibility across independent preparations and lots.
• Interference awareness: Assess intrinsic fluorescence/absorbance, redox reactivity, and metal chelation potential once structural information is available. Apply PAINS/REOS filters prudently; filters are guides, not absolutes.
• Rule-of-five and beyond: If/when formula and MW are known, compute basic drug-likeness descriptors (literature) to anticipate permeability/solubility constraints in cell systems.

Documentation

• Record exact lot, concentration verification (e.g., via UV or quantitative NMR when feasible), and solvent composition in all biological reports.
• Note: No medical or clinical claims are made; this product is for research use only.

Buffer Applications

Applicability

• This product is a small-molecule screening compound, not a buffering agent. No buffer capacity or buffer system relevance is indicated in the Product Data.

Guidance

• When using this compound in biochemical assays, select buffer systems appropriate to the biological target (e.g., PBS, HEPES, Tris, MOPS) and compatible with the chosen solvent vehicle.
• Maintain consistent pH and ionic strength across controls and test wells. Include nonionic surfactants at low levels if precipitation is observed upon dilution from organic stocks.
• If compound ionization is later determined (from pKa), adjust buffer pH relative to pKa to optimize solubility and target engagement, while avoiding assay interference.

Not specified for this item; refer to CoA/Spec Sheet

• Any compound-specific buffer recommendations are not available for this item.

Green Alternatives

Context

• As a screening compound rather than a bulk solvent or reagent, the main greening opportunities are in solvent choice for stock preparation, assay dilutions, and work-up.

Greener solvent strategies (general guidance)

• Prefer ethanol or water/ethanol mixtures over DMF/MeCN when compatible with solubility and assay biology.
• Use minimal DMSO compatible with assay performance; consider PEG 400 or propylene glycol co-solvents in certain biochemical formats when higher organic content is unavoidable.
• Employ microscale formats to reduce solvent usage and waste.

Trade-offs (general; not item-specific)

• Ethanol vs DMSO: Ethanol is greener and more volatile (easier removal) but may not dissolve very lipophilic compounds; DMSO offers broader solubility but is harder to remove and may affect cells at higher percentages.
• MeCN vs EtOH: MeCN provides good chromatographic behavior but has higher toxicity; EtOH is safer but can impact some bioassays and has lower solvency for hydrophobes.

Example comparison (general)

• DMSO: High solvency, stable stocks; higher EHS burden at scale.
• Ethanol: Renewable, lower toxicity; limited solvency for some scaffolds.
• Water + co-solvent: Best EHS profile; requires ionizable functionality or surfactants.

Implementation tips

• Validate a greener solvent during pilot assays; confirm no assay artifacts.
• Use sealed plates and controlled humidity to mitigate evaporation for volatile solvents like ethanol.

Pharmaceutical Uses

Scope

• This material is supplied strictly for research use. It is not approved as an excipient or active ingredient and is not intended for human or veterinary use.

Item-specific facts

• Regulatory status, compendial listings (USP/EP/JP), and residual solvent/elemental impurity data: Not specified for this item; refer to CoA/Spec Sheet.

General formulation context (non-item-specific)

• If transitioning hits toward developability assessment, typical preformulation steps include solubility profiling across pH, co-solvent screening (e.g., ethanol, PEG 400, propylene glycol), and salt/cocrystal exploration where applicable.
• Early compatibility screens with common excipients (e.g., microcrystalline cellulose, HPMC, polysorbates) may be informative, but such activities lie beyond the intended research-only scope of this catalog item.

Compliance reminder

• No GMP documentation or clinical-grade assurances are provided in the Product Data. For any work beyond exploratory research, source appropriate grade material and regulatory documentation.

Physical Properties

Item-specific facts

• No item-specific physical constants are provided in the Product Data.

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.

General guidance for small-molecule library compounds (literature/practice)

• Initial solubility screening: Start with anhydrous DMSO (typically 1–10 mg/mL target); if limited, consider DMF, ethanol, or acetonitrile. For aqueous work, prepare DMSO stock and dilute into buffer keeping final DMSO ≤0.1–1% v/v depending on biological system tolerance.
• Hygroscopicity/volatility: Unknown for this item. As a precaution, handle rapidly at room temperature, recap promptly, and store desiccated at −20°C. If amorphous, expect broadened or absent MP.
• Solid-state form: Crystalline vs amorphous form and polymorphism can affect solubility and MP; verify by DSC/PXRD if critical.
• Stability considerations: Without structure, assume light and air sensitivity are possible; use amber vials, inert headspace, and minimize freeze–thaw cycles.
• Practical QC tests: Quick checks include a small-scale solubility panel, LC–MS purity profile, and a thaw-stability time course of DMSO stocks (e.g., 4–24 h at RT) to inform handling.

Quality and Grades

Item-specific facts

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.

What to expect and how to interpret grade (general guidance)

• Small-molecule screening compounds are commonly supplied at research grade, with purity typically reported by HPLC/LC–MS. The exact minimum purity threshold (e.g., ≥90%, ≥95%) must be confirmed on the lot-specific CoA.
• Analytical confirmation: Expect one or more of the following on the CoA: LC–MS purity (% area), HRMS or ESI-MS for molecular ion, 1H NMR (and possibly 13C NMR), and water/volatile residuals (e.g., Karl Fischer/GC). If UV applications are planned, a PDA trace can be helpful for impurity profiling.
• Stabilizers/additives: None are indicated in the Product Data; if stabilizers or salt forms are present, these should be declared on the label/CoA. Absence of declaration is not proof of absence—verify if critical.
• Batch-to-batch consistency: For screening cascades, procure a single lot where possible. If multiple lots are used, cross-check purity and counter-screen any observed activity against potential impurities.
• Documentation: For regulated workflows, retain CoA and shipping records. If identity confirmation is required in-house, perform orthogonal analytics (LC–MS plus NMR) prior to biological use.
• Reminder: For any unspecified attribute (water content, specific limits, UV cutoff): Not specified for this item; refer to CoA/Spec Sheet.

Reaction and Applications

Item-specific facts

• Manufacturer Applications: Not provided in the Product Data.

Applicability

• This product is positioned as a small-molecule screening compound. Its primary application is in biochemical, biophysical, or cellular assays as a test article. Without structural information, use in synthetic chemistry cannot be meaningfully guided.

General research applications (non-item-specific)

• Assay development: Use as an unknown test compound in target-based screens (enzyme inhibition, receptor binding, protein–protein interaction modulators) or in phenotypic assays.
• Biophysical profiling: Thermal shift assays (DSF), microscale thermophoresis (MST), SPR, or NMR ligand-observe methods can provide preliminary binding evidence when solubility and purity permit.
• ADME prefiltering: If structure becomes available, evaluate cLogP, TPSA, and ionization to anticipate permeability and solubility; conduct in vitro stability assays (microsomes, plasma) to guide follow-up procurement or synthesis.

Practical considerations

• Prepare fresh DMSO stocks and confirm assay compatibility of final solvent percentage.
• Include vehicle controls and, where possible, orthogonal counter-screens to detect assay interference (e.g., redox cycling, fluorescence quenchers/enhancers).
• If activity is observed, re-confirm identity and purity by LC–MS/NMR and retest from an independently weighed aliquot to exclude adventitious contamination.

Reaction Conditions

Applicability

• No reaction condition guidance can be provided for SN34037 as a reagent because the structure and functional groups are not disclosed in the Product Data.

General notes (non-item-specific)

• If SN34037 is to be used merely as a test article in assays, this section is not applicable.
• If repurposed as a synthetic intermediate after structure disclosure, consult literature for conditions matched to its functional handles (e.g., Pd-catalyzed cross-coupling for aryl halides, amide couplings for carboxylic acids/amines, reductive aminations for carbonyl/amine pairs).

Not specified for this item; refer to CoA/Spec Sheet

• No temperature, solvent, catalyst, or yield information is available for this item.

Safety and Handling

Item-specific facts

• GHS classification, signal word, pictograms, and H-statements: Not specified for this item; refer to SDS.
• Storage condition (from Product Data): Store at −20°C.

General safety guidance (defer to SDS for authoritative information)

• Precautionary approach: Treat as a laboratory chemical of unknown hazard. Avoid inhalation, ingestion, and skin/eye contact. Use in a fume hood.
• PPE: Lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). For weighing fine powders, consider a mask/respirator rated for particulates per institutional policy.
• Handling: Open vials gently to avoid aerosolization. Allow material to equilibrate to room temperature in a desiccator before opening to minimize moisture condensation.
• Incompatibilities: Unknown for this item. As a conservative measure, segregate from strong oxidizers, strong acids/bases, and reducing agents until compatibility is known.
• First aid (general): In case of skin contact, wash with soap and water; for eye contact, rinse with water for several minutes and seek medical attention; if inhaled, move to fresh air; if ingested, seek medical attention. Provide the SDS to responders.
• Waste: Dispose of unused material and solutions as hazardous chemical waste per local regulations.
• Special risks: Without structural information, assume potential for dust nuisance and unknown acute toxicity. Avoid heating or aerosol generation unless hazard data are known. Consult the SDS and risk assessments before scale-up.

Solvent Selection

Item-specific facts

• No solubility profile is provided for this item; selection below is general guidance for small-molecule screening stocks.

General guidance (literature/practice)

• Primary stock solvent: DMSO is the default for discovery libraries due to broad solubilizing power and biological compatibility at low final % v/v.
• Secondary options: DMF, ethanol (EtOH), methanol (MeOH), and acetonitrile (MeCN). For aqueous systems, use co-solvent approaches or pH adjustment when the compound’s ionization is known.
• Aqueous work: Prepare concentrated DMSO stocks (e.g., 10–50 mM) and dilute into buffer with vigorous mixing. Keep final DMSO within assay tolerance (often 0.1–1%). Employ surfactants (e.g., 0.01–0.05% Tween-20) to reduce precipitation in some bioassays.

Comparison (general; not item-specific)

• DMSO: Very broad solubility, excellent freeze–thaw stability; potential cytotoxicity at higher %.
• Ethanol: Greener, volatile, compatible in many biochemical assays; lower solubility for very lipophilic scaffolds.
• MeCN: Low viscosity, miscible with water; limited in cell-based assays at higher %.
• DMF: Strong solvent but with higher toxicological concerns; use sparingly in bioassays.

Practical tips

• Perform a micro-solubility screen (DMSO → EtOH → MeCN/MeOH) and check clarity after serial dilution into assay buffer.
• Filter 0.2 μm or centrifuge to remove particulates before plate loading.
• For long incubations, verify precipitation risk by visual check or nephelometry.

Storage and Reconstitution

Item-specific facts (from Product Data)

• Storage condition: Store at −20°C.
• Shipping: Ice chest + ice pads.

General handling and reconstitution (non-item-specific best practices)

• Upon receipt: Keep vial cold. Allow to equilibrate to room temperature in a desiccator before opening to avoid moisture condensation.
• Solid material: If supplied as a solid, prepare DMSO stock solutions (e.g., 10–50 mM) in small, single-use aliquots. Store aliquots at −20°C or −80°C to minimize freeze–thaw.
• Solution stability: Absent specific data, use conservative limits—avoid more than 3–4 freeze–thaw cycles. Protect from light in amber vials if chromophoric groups are suspected.
• Aqueous use: Dilute DMSO stocks into buffer with mixing; confirm no precipitation visually or by light scatter. Keep final DMSO within assay tolerance.
• Headspace/inerting: If sensitivity is suspected, blanket with inert gas (N2/Ar) before cold storage.

Not specified for this item; refer to CoA/Spec Sheet

• Solubility limits, solution stability times, and specific reconstitution solvents are not provided for this item.

Disposal

• Dispose of expired or unused material and stock solutions as hazardous chemical waste per institutional and local regulations.

Structure and Identity

Brief overview

• This product is offered as a small-molecule library member intended for research screening and discovery workflows.

Item-specific facts (from Product Data)

• Product Name: SN34037
• SKU: S1438710
• CAS: 1548116-54-6
• Category Path: 全部 / 可售 / 小分子和化合物库
• Storage: Store at −20°C
• Shipping: Ice chest + ice pads
• Research Use: For research use only

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.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• Grade/Purity, Appearance: Not specified for this item; refer to CoA/Spec Sheet.

General notes

• Structural details (functional groups, ring systems, stereochemistry) are not provided in the current listing. For unambiguous identification, consult the lot-specific Certificate of Analysis (CoA), which should include structural identifiers (SMILES/InChIKey) and analytical confirmation (e.g., NMR, LC–MS).
• If your work requires structural alerts (e.g., PAINS filters) or reactivity assessment, obtain the full structure and run in silico checks prior to biological screening.

Synthetic Utility

Applicability

• Synthetic transformations and building-block applications cannot be described without structural information. The Product Data do not include functional groups, reactive handles, or a scaffold class for SN34037.

Guidance (general)

• If you intend to derivatize or integrate this compound into synthetic sequences, obtain the full structure and confirm functional groups by NMR/IR/MS. Then assess reactivity domains (e.g., aryl halides for cross-coupling, amines for acylation/alkylation, acids for amide coupling).
• Establish stability maps (acid/base, redox, photostability) prior to planning multistep routes.
• For library follow-up, consider synthesis of close analogs to explore SAR once the core scaffold is known.

Not specified for this item; refer to CoA/Spec Sheet

• Functional groups, protecting group strategies, and named-reaction suitability are not available for this item.

Target Specificity

Item-specific facts

• No biological target, pathway, or selectivity data are provided for SN34037 in the Product Data.

Guidance (general)

• Treat as target-agnostic until screening identifies activity. If hits emerge, establish selectivity by testing against related isoforms, counterscreens for common off-targets, and orthogonal assay formats.
• Employ profiling panels (e.g., kinases, GPCRs, ion channels) appropriate to the observed activity class once structural and preliminary activity data justify expansion.

Not specified for this item; refer to CoA/Spec Sheet

• Any claim of target specificity or potency is not available for this item.

Foire aux questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1548116-54-6, the molecular formula is C15H19Cl2N3O2, and the molecular weight is 344.24 g/mol.

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.