SX29 , CAS No.S1438572

CAS: S1438572 Cat. No.: S1438572 Formula: C₃₀H₂₂N₄O₃S Molecular Weight: 518.59

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

SX29 is an orally active non-competitive α-glucosidase inhibitor with an IC 50 value of 2.12 μM. SX29 exhibits hypoglycemic activity, and oral administration of SX29 can reduce blood glucose levels and improve glucose tolerance in diabetic mice.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Molecular Weight

518.59

Application Protocols

• Item-specific (Product Data): No validated application protocols are provided for SX29.
• General recommendations for screening compounds:
  • Stock preparation: make 10–50 mM solutions in dry DMSO; aliquot (e.g., 10–50 µL) in low-bind tubes or plates; store at −20 °C.
  • Thawing and dilution: equilibrate to room temperature before opening to prevent moisture ingress; vortex and brief sonication if needed; dilute into assay buffer to the desired final concentration keeping DMSO ≤1% v/v unless assay permits otherwise.
  • Controls: include vehicle controls, compound-only controls to assess interference with detection, and orthogonal assays to confirm activity.
  • Documentation: record SKU, lot number, concentration, solvent, and freeze–thaw count with each experiment.
• For any target-specific protocols, consult your internal SOPs. No target/application details are specified for this item.

Biological Roles

• Item-specific (Product Data): No target, pathway, or biological role is specified for SX29.
• General context for small-molecule library members:
  • Such compounds are typically explored as chemical probes, tool compounds, or preliminary hits to interrogate biological pathways. Definitive biological roles emerge only after target deconvolution and SAR.
  • Early characterization should include assessment of cytotoxicity, permeability (e.g., PAMPA/MDCK), and metabolic stability (microsomes/S9), as appropriate for your program.
  • Off-target risk assessment can include broad profiling panels or computational alerts if the structure is available. Without structural data, limit conclusions to empirical assay observations.
• Important note:
  • No clinical, diagnostic, or therapeutic use is implied. This material is supplied strictly for research use only, consistent with the product’s Research Use Note.

Buffer Applications

• Applicability to SX29: Without structural and ionization data, specific buffer systems cannot be recommended for this item.
• General guidance for preparing assay buffers with small molecules:
  • Maintain low co-solvent levels (commonly ≤0.5–1% DMSO) and include a nonionic surfactant (e.g., 0.01–0.05% Tween-20) if aggregation is suspected.
  • Use well-characterized buffers with minimal metal contaminants and low UV background: HEPES (pH 7.0–8.0), phosphate (pH 6.0–8.0), Tris (pH 7.5–8.5). Choose based on target biology rather than the compound in the absence of pKa data.
  • Filter and degas buffers to reduce particulate-related assay noise; pre-equilibrate plastics to minimize adsorption.
• Not specified for this item: exact pKa, solubility in specific buffers, or recommended buffer recipes. Refer to your assay SOPs and validate with small pilot runs.

Green Alternatives

• Item-specific (Product Data): No solvent or process conditions are specified for SX29; green alternatives are discussed generally.
• Greener dissolution and assay practices (general):
  • Prefer minimal DMSO percentages (≤0.5–1% v/v in assay) to reduce environmental burden and cell stress while maintaining solubility.
  • For make-up solvents where feasible, consider bio-based or lower-toxicity options such as ethanol or 2-propanol for intermediary steps, validating assay compatibility.
  • For synthetic derivatization of disclosed scaffolds, consider greener reaction media like 2-MeTHF, CPME, propylene carbonate, or water/ethanol mixtures when compatible with the chemistry.
• Comparison highlights (general):
  • DMSO vs 2-MeTHF: DMSO excels for stock solutions and is water-miscible; 2-MeTHF is a greener ether for synthetic steps but not typically used for assay stocks.
  • Acetonitrile vs Ethanol: MeCN is a common analytical solvent with higher environmental impact; EtOH is renewable and less toxic but has different solvency and evaporation profiles.
• Waste minimization:
  • Consolidate small-volume waste streams, use microplate formats to reduce solvent use, and employ closed evaporators with solvent recovery where applicable.
• Trade-offs:
  • Greener solvents may alter solubility and assay windows; always re-validate signal-to-background and stability when changing media.

Pharmaceutical Uses

• Item-specific (Product Data): None provided. SX29 is offered for research use only.
• Context (general, non-clinical):
  • Screening compounds may be employed in pre-formulation research to assess physicochemical liabilities (solubility, stability, permeability) but are not manufactured to pharmacopeial monographs or GMP standards unless explicitly stated.
  • No excipient role or compendial status is indicated for this product. If downstream development is anticipated, request extended impurity profiles, residual solvent data, and stability protocols.
• Compliance note:
  • This product is not for human or veterinary use and should not be incorporated into clinical or diagnostic materials.

Physical Properties

• Item-specific (Product Data):
  • 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 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, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• Practical notes (general/literature guidance for small-molecule library members):
  • Solubility screening hierarchy: DMSO (analytical grade) → DMF/MeCN → alcohols (MeOH/EtOH) → buffered aqueous media with co-solvent (≤1–2% DMSO for biochem assays, as tolerated).
  • Typical assay stocks are prepared at 10–50 mM in dry DMSO; verify clarity and stability over 24–48 h at room temperature and 4 °C.
  • If crystallinity is observed, gentle warming (25–40 °C) and sonication can aid dissolution. Avoid prolonged heating without stability data.
  • Determine solubility and stability empirically using UV–Vis (baseline drift), LC–MS (decomposition peaks), and nephelometry (turbidity) before high-throughput use.
• Computed/literature values: None can be provided without a structure. Request cheminformatics data if available for your lot.

Quality & Grades

• Item-specific (Product Data):
  • Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Guidance on grades (general):
  • “Screening” or “library” grade compounds are typically supplied with LC purity (UV/ELSD) and identity by MS; detailed metal or residual solvent specifications may not be provided unless requested.
  • If HPLC or UHPLC-grade purity is required for bioassays, request a current CoA with chromatograms and method details (wavelengths, gradient, detection mode). For photometric assays, low UV background and absence of fluorescent impurities are beneficial.
  • Stabilizers: Not indicated for this item. If stabilizers are present in a given lot, they will be disclosed on the CoA; consider their assay interference potential.
  • Water/peroxide/metal limits, UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
• Fitness-for-use recommendations:
  • Verify purity and identity in-house for critical studies (orthogonal HPLC methods, LC–MS, 1H NMR). For SAR or HTS, a quick LC–MS check per lot is often sufficient.
  • If trace metals or endotoxin are relevant to your assay, specify acceptance criteria at purchase so tailored material can be provided if available.

Reaction & Applications

• Item-specific (Product Data): Manufacturer Applications: Not specified for this item.
• Research-use context (general):
  • SX29 is positioned within a small-molecule and compound library category, suggesting use in high-throughput screening (HTS), hit validation, and early SAR. Typical workflows include biochemical target screening, phenotypic assays, and counter-screening for selectivity.
  • If the structure is available under CDA, derivative synthesis and analog profiling may follow to map activity cliffs and address solubility/metabolic liabilities.
• Practical considerations for assay deployment (general):
  • Prepare stable DMSO stocks; confirm noninterference with assay detection modality (absorbance/fluorescence/chemiluminescence) by running solvent and compound-only controls.
  • Assess redox activity and aggregation liabilities using orthogonal assays (e.g., detergent-sensitive readouts, redox probes) to avoid PAINS-like artifacts.
  • Track lot and freeze–thaw history; aliquot to minimize cycles and concentration drift.
• If using in chemistry workflows:
  • Without structural information, no specific named-reaction applicability can be provided. Should the scaffold be disclosed, reaction planning can be tailored (e.g., cross-coupling for aryl cores, amide couplings for fragment growth). Consult the CoA/structure file to proceed.

Reaction Conditions

• Item-specific (Product Data): No reaction conditions or chemical reactivity information are provided for SX29.
• General guidance (only applicable if structure becomes available):
  • Choose solvents and temperatures consistent with functional group tolerance; screen base/acid sensitivity in micro-scale tests.
  • Typical conditions for common transformations (literature-general):
    • Amide coupling: HATU or EDCI, DIPEA, DMF/MeCN, 0–25 °C.
    • Suzuki–Miyaura coupling: Pd(PPh3)4 or Pd-PEPPSI, base (K2CO3/Cs2CO3), 2-MeTHF or dioxane/water, 50–90 °C.
    • Buchwald–Hartwig amination: Pd2(dba)3/XPhos-type ligands, NaOtBu or Cs2CO3, toluene/1,4-dioxane, 60–110 °C.
  • These are generic literature conditions and not recommendations for SX29 specifically. Do not apply without structural knowledge and small-scale feasibility tests.

Safety & Handling

• Item-specific (Product Data):
  • GHS Signal Word: Not specified for this item; refer to SDS.
  • H-Statements / P-Statements / Pictograms: Not specified for this item; refer to SDS.
  • GHS Classification: Not specified for this item; refer to SDS.
  • Storage Conditions: Store at −20 °C.
  • Shipped in: Ice chest + ice pads.
• General laboratory precautions (for small molecules with unknown hazard profiles):
  • Handle in a chemical fume hood with appropriate PPE: lab coat, safety glasses, and nitrile gloves. Consider double-gloving for DMSO solutions.
  • Avoid inhalation, ingestion, and skin contact. Prevent aerosolization when opening lyophilized solids.
  • Incompatibilities are unknown; keep separate from strong oxidizers and acids/bases until compatibility is confirmed.
  • First aid (overview; defer to SDS): in case of contact, rinse with water for ≥15 min; if inhaled, move to fresh air; seek medical attention as needed.
  • Spill/accident response: absorb liquids with inert material; collect solids by damp wiping; dispose via approved hazardous waste streams.
  • Special risks: without structure, sensitization or acute toxicity cannot be excluded. Start with small quantities and conduct preliminary cytotoxicity or reactivity checks as appropriate for your workflow.
• Always consult and follow the official SDS for your specific lot for authoritative safety information.

Solvent Selection

• Item-specific (Product Data): No solvent preferences are specified for SX29; structure is not provided.
• General strategy for small-molecule stocks and assay solutions:
  • Primary solvent: DMSO is the default for screening compounds due to broad solvency and biological assay compatibility at low percentages.
  • Secondary solvents (if needed): DMF, acetonitrile, methanol, ethanol. Transition to aqueous media with co-solvent and surfactant (e.g., 0.01–0.05% polysorbate) as assay permits.
  • Polarity considerations: Without structure, begin with polar aprotic solvents, then evaluate buffered aqueous dilutions to minimize compound precipitation and adsorption.
• Practical tips:
  • Prepare a solubility ladder: attempt 10, 25, and 50 mM in dry DMSO; visually inspect and confirm by LC at time 0 and 24 h.
  • Avoid high pH or strong acids unless pKa data are known; uncontrolled ionization can cause degradation.
  • For poorly soluble materials, consider co-solvent blends (DMSO/MeCN or DMSO/EtOH) and warming to 30–40 °C during dissolution; filter through 0.22 µm PTFE before use if compatible.
• Comparison (general):
  • DMSO vs MeCN: DMSO offers higher solvency and assay tolerance at ≤1–2%; MeCN evaporates faster and may cause concentration drift but can reduce DMSO-related assay artifacts.

Storage & Reconstitution

• Item-specific (Product Data):
  • Storage Conditions: Store at −20 °C.
  • Shipping: Ice chest + ice pads.
• Reconstitution guidance (general; not item-specific specifications):
  • Solid material: Bring vial to room temperature in a desiccator before opening to avoid condensation. If hygroscopicity is unknown, minimize ambient exposure.
  • Prepare concentrated stocks in dry DMSO (typical 10–50 mM) or another suitable solvent determined by a small solubility screen. Mix by gentle vortexing; brief sonication can help. Filter through 0.22 µm PTFE if particulate persists and the compound is filtration-stable.
  • Aliquot stocks into single-use portions to avoid repeated freeze–thaw. Record preparation date and solvent.
• Stability handling (general):
  • Store aliquots at −20 °C, protected from light if chromophoric behavior is suspected. Avoid frost-free freezer cycles; use secondary containment with desiccant.
  • Thaw on ice or at room temperature; fully dissolve before dilution into assay buffers. Discard solutions showing precipitation, discoloration, or new LC–MS peaks.
• Not specified for this item: aqueous stability, light sensitivity, or long-term shelf life. Refer to the CoA/Spec Sheet or request stability data for your lot.
• Use limitation: For research use only.

Structure & Identity

• Item-specific (Product Data):
  • Product Name: SX29 (catalog screening compound)
  • SKU: S1438572
  • CAS: S1438572 (internal/catalog identifier)
  • 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.
• Structural description:
  • Not available for this item. No structural features (ring systems, heteroatoms, stereochemistry) are provided in the current product data. Please consult the CoA/SDS or request the structure file (SMILES/SDF) if required under your screening disclosure agreement.
• General guidance (chemistry best practice):
  • When structure is undisclosed or pending, identity can be tracked by internal lot numbers and analytical fingerprints (HPLC retention time, LC–MS m/z, and FT-IR). Confirmatory NMR may be provided under CDA where applicable.
  • For informatics workflows, provision of a hashed identifier (InChIKey) enables unambiguous cross-referencing across assay data lakes; absent that, use SKU + lot number as the key.

Synthetic Utility

• Item-specific (Product Data): The chemical structure of SX29 is not provided; consequently, no scaffold-specific synthetic transformations can be outlined.
• General considerations for library members (when structure is disclosed):
  • Functional-handle mapping enables rapid diversification via amide couplings, SNAr/SN2 substitutions, cross-couplings (Suzuki–Miyaura, Buchwald–Hartwig), and heterocycle elaborations.
  • Late-stage functionalization (C–H activation, photoredox) may provide solubility or potency tuning while preserving core topology.
  • Protecting-group strategies and chiral resolution/enantioselective synthesis depend on the presence of stereocenters or heteroatom tautomers; consult structural data before planning.
• Without structure, any further synthetic planning would be speculative. Please request the structural dossier if derivatization is intended.

Target Specificity

• Item-specific (Product Data): No biological target, selectivity profile, or mechanism is specified for SX29.
• Statement of scope:
  • Target affinity, species reactivity, and off-target panels are not available. Any such information should be derived from your internal screening data or requested under CDA if maintained by the supplier.

Frequently Asked 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 S1438572, the molecular formula is C30H22N4O3S, and the molecular weight is 518.59 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.