Oxazosulfyl - Moligand™, 10 mM in DMSO , CAS No.1616678-32-0

CAS: 1616678-32-0 Cat. No.: O1496495 Formula: C₁₅H₁₁F₃N₂O₅S₂ Peso molecolare: 420.4 Numero EC: 881-235-3

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Oxazosulfyl is a potent agricultural fungicide . Oxazosulfyl can be used as an insecticide against major rice pests.

Specifications

Specifiche e purezza

Moligand™, 10 mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Nomi e identificatori

• Peso molecolare: 420.4

Application Protocols

No vendor‑validated application protocols are provided for Oxazosulfyl. The following generic procedures are commonly used for small‑molecule screening and should be adapted based on the compound’s actual solubility and stability (not specified here).

• Preparation of DMSO stock (general)
  • Warm to ambient in a desiccator. Accurately weigh to prepare a 10–50 mM stock in anhydrous DMSO. Vortex and, if needed, sonicate briefly. Filter only if non‑adsorptive.
• Plate preparation
  • Dispense using low‑retention tips into assay plates; backfill with DMSO to maintain uniform solvent percentages. Seal to limit evaporation.
• Assay dosing
  • Typical final DMSO ≤0.5% v/v unless your assay validates higher. Include vehicle controls and, if available, positive/negative control ligands.
• Counterscreens
  • Include detergent‑containing assays to flag aggregators and orthogonal readouts to exclude optical interference.

All steps must be verified against your assay SOPs. Refer to the product’s CoA/SDS for any item‑specific constraints.

Biological Roles

Biological functions or pathway roles for Oxazosulfyl are not specified in the Product Data. As a Moligand™ library compound, it is intended for research screening and chemical biology exploration.

• Known endogenous roles, metabolic pathways, or receptor interactions: Not specified for this item; consult primary literature if the structure is disclosed and mapped to biological targets.
• Typical research usage (general): Probe candidate interactions with enzymes, receptors, or protein–protein interfaces in biochemical or cell‑based assays to generate preliminary SAR and prioritize chemotypes for follow‑up.
• Assay interference caution: Before assigning biological relevance, exclude aggregation, redox cycling, covalent reactivity, fluorescence interference, or metal chelation, which can masquerade as activity in broad panels. Presence/absence of such liabilities is not specified for this item and should be experimentally assessed.

This product is for research use only and not for human or veterinary use.

Buffer Applications

This product is a small‑molecule screening compound and is not a buffering agent. Consequently, classic buffer system design (pKa windows, capacity calculations, isotonicity) does not apply.

Practical notes for assay buffers (general guidance)

• Prepare compound stocks in DMSO and dose into your pre‑validated assay buffer (e.g., HEPES, Tris, PBS) at minimal DMSO percentages to avoid perturbing pH, ionic strength, or protein stability.
• Confirm compound solubility and absence of precipitation at the working concentration in the final buffer composition, including salts, cofactors, and detergents.
• For pH‑sensitive readouts, verify that the compound does not shift apparent pH or absorb in the assay’s detection window.

Item‑specific buffer properties are not available; consult the CoA/Spec Sheet and conduct a small‑scale compatibility screen prior to large experiments.

Green Alternatives

Green chemistry considerations for screening compounds primarily center on solvent usage, handling efficiency, and waste minimization rather than substitution of the compound itself.

• Solvent hierarchy (general guidance)

  • Prefer greener polar aprotic options where compatible (e.g., ethanol, methanol, water with minimal DMSO) over high‑hazard solvents. For stock solutions, DMSO remains common; limit final assay DMSO to the minimum tolerated.
  • For purification/analysis, consider ethanol/ethyl acetate/heptane systems where feasible instead of chlorinated solvents. Validate resolution and stability first.

• Process and waste reduction

  • Use high‑concentration master stocks to reduce solvent volumes and shipping mass.
  • Adopt miniaturized assay formats (384/1536‑well) to cut per‑well consumption and waste streams.
  • Implement solvent recovery for preparative steps and LC‑waste segregation to facilitate recycling.

• Energy and logistics

  • Consolidate shipments on dry ice to reduce packaging overhead and maintain cold chain efficiency.
  • Transition to plate‑based deliveries to minimize secondary containers and cold‑storage footprint.

Tradeoffs

• Some greener solvents can compromise solubility or assay performance; run small‑scale feasibility screens before wholesale changes.

No item‑specific green substitutes are suggested due to the undisclosed structure; align choices with your institutional green‑chemistry policy and the product’s SDS.

Pharmaceutical Uses

No pharmacopeial monograph or excipient/formulation role is provided for Oxazosulfyl in the Product Data. As a Moligand™ library member, it is supplied strictly for research use only.

• Formulation or excipient status: Not specified for this item; not indicated for clinical or manufacturing use.
• Typical discovery‑phase handling (general guidance)
  • Prepare analytical‑grade DMSO stocks for in vitro assays; confirm concentration and purity before reporting potency metrics.
  • If advancing to in vivo exploratory studies within your institution, conduct full safety, stability, and formulation development de novo; this product listing provides no clinical suitability claims.

All clinical, diagnostic, or therapeutic applications are excluded. Refer to institutional policies and regulatory frameworks if considering use outside basic research.

Physical Properties

Item‑specific physicochemical constants have not been provided in the Product Data for Oxazosulfyl.

• 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. For screening workflows, DMSO is commonly used to prepare stock solutions (e.g., 10–50 mM) pending actual solubility.
• LogP/logD, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/practice, not item‑specific)

• For new library members, assess kinetic aqueous solubility (turbidimetric or nephelometric) across pH 2–10. Establish DMSO cosolvent limits compatible with downstream assays.
• Conduct a quick solvent screen (DMSO, DMF, MeOH, ACN, EtOH, PBS with 1–2% DMSO) at the intended working concentration to identify precipitation risks.
• If hygroscopicity or polymorphism is suspected, verify by Karl Fischer (for water content) and DSC/TGA (for thermal events). Values are not specified for this item unless reported in the CoA.

All numerical specifications and acceptance criteria, when applicable, will appear on the CoA/Spec Sheet for the shipped lot.

Quality and Grades

• Grade/Purity: Moligand™ (Aladdin small‑molecule screening/library grade).

What Moligand™ typically signifies (general program description; not item‑specific specifications)

• Intended for hit‑finding, fragment expansion, and chemical biology assays where identity, purity, and stability are suitable for primary/secondary screening.
• Lots commonly undergo identity confirmation (e.g., LC–MS) and purity assessment (e.g., HPLC/UPLC UV). Exact analytical methods, thresholds, and acceptance criteria are not specified for this item; refer to the CoA/Spec Sheet.
• Plate‑ and vial‑ready format options may be available for library logistics and automated dispensing. Any stabilizers, salt form, or counterions are not specified for this item.

How to use this information in practice

• For quantitative SAR or biophysical assays, verify purity and concentration in‑house (orthogonal LC–MS/UV with extinction coefficient or quantitative NMR) before potency reporting.
• If low‑UV impurities are a concern for chromatography‑based readouts, consider additional cleanup or use MS‑coupled detection to ensure data integrity.

Item‑specific unknowns

• Water content, residual solvents, metal limits, UV cutoff, salt form: Not specified for this item; refer to CoA/Spec Sheet.

Documentation

• Retain CoA/SDS with the lot. Record any in‑house re‑testing results to support data packages and reproducibility.

Reaction and Applications

Specific reactivity for Oxazosulfyl cannot be detailed without a disclosed structure. The following outlines how Moligand™ compounds are commonly deployed in research settings.

Applications in discovery and chemical biology (general use)

• High‑throughput screening (HTS) and hit identification: Supplied as a member of a diverse small‑molecule set to probe biochemical or cell‑based targets. Primary use involves potency ranking and chemotype selection.
• Biophysical assays: Surface plasmon resonance (SPR), microscale thermophoresis (MST), thermal shift (DSF), NMR fragment screening—subject to confirmed solubility and absence of assay‑interfering behaviors.
• Orthogonal confirmation: LC–MS binding shift assays, competition assays, or target engagement in cells (e.g., CETSA) where appropriate.

Best practices

• Rule out pan‑assay interference (PAINS) and redox/reactive liabilities using control assays (e.g., aggregation counterscreens with detergent; redox cycling in presence of DTT; photoreactivity checks). The presence/absence of such motifs for this item is not specified.
• Establish stability windows in assay media and light exposure to avoid false positives/negatives.
• Verify concentration by quantitative NMR or LC–UV (with extinction coefficient) to avoid potency overestimation from inaccurate dosing.

Any synthetic transformations or named reaction roles cannot be asserted for this item without structural information; consult the CoA/Spec Sheet for structure‑based planning.

Reaction Conditions

Item‑specific reaction conditions cannot be provided without a known structure. If Oxazosulfyl is to be used in chemical reactions (e.g., as a substrate, ligand, or intermediate) the following general workflow applies.

• Establish baseline stability (general)
  • Screen stability against acid/base (0.1–1 M HCl/NaOH), nucleophiles (amines, thiols), oxidants/reductants, and heat (rt to 80°C) using LC–MS.
• Solvent selection
  • Begin with DMSO, DMF, acetonitrile, or alcohols for solution studies; choose greener options where possible. Confirm no decomposition under the planned conditions.
• Temperature and atmosphere
  • Unless oxidatively sensitive, standard inert atmosphere is optional for preliminary tests; escalate to N2/Ar glovebox techniques if instability is observed.
• Workup and purification
  • Use SPE or preparative HPLC when the compound co‑elutes with by‑products in normal extraction. Adsorptive losses can be significant for lipophilic candidates—monitor mass balance.
• Analytical controls
  • Track reaction progress with LC–MS and orthogonal TLC/UPLC; secure characterization of products with 1H/13C NMR and HRMS.

All numerical ranges and yields are context‑dependent and not specified for this item. Consult the CoA/Spec Sheet for structure‑guided condition planning.

Safety and Handling

Hazard classification details have not been provided in the Product Data for Oxazosulfyl.

• GHS classification, signal word, pictograms, and H‑statements: Not specified for this item; refer to SDS.
• Research use: For research use only (non‑clinical, non‑diagnostic, non‑veterinary).

General laboratory precautions (defer to SDS as authoritative)

• PPE: Use appropriate gloves (e.g., nitrile), lab coat, and safety glasses. Handle powders/aliquots in a fume hood to avoid inhalation and aerosol formation.
• Avoid: Contact with skin/eyes; ingestion; inhalation of dust or mists. Prevent cross‑contamination of screening plates.
• Storage incompatibilities: Unknown for this specific item; segregate from strong oxidizers/reductants and acids/bases until SDS guidance is reviewed. Keep container tightly closed under recommended storage.
• First‑aid overview: Skin/eye contact—rinse with water for several minutes; remove contaminated clothing. Inhalation—move to fresh air. Ingestion—rinse mouth. Seek medical attention per SDS instructions.
• Spill response: Avoid dust; collect with inert absorbent; place in suitable waste container for disposal per institutional and local regulations.

Shipping and storage per Product Data

• Shipped: On dry ice packs + cold packs to maintain low temperature.
• Storage: Store at −80°C.

Always consult the product‑specific SDS and CoA for definitive hazard and handling information.

Solvent Selection

The Product Data do not disclose Oxazosulfyl’s solubility profile. The following is general guidance for library compounds and should be verified experimentally for this item.

• Primary stock solvent: Anhydrous DMSO is typically preferred for discovery screening stocks (e.g., 10–50 mM), enabling small‑volume dispensing into aqueous assay buffers.
• Secondary solvents for characterization: DMF, acetonitrile, methanol, ethanol. Assess compatibility with analytical methods (LC–MS, HPLC‑UV) and with the intended bioassays.
• Aqueous handling: Determine maximum tolerated DMSO percentage in assay buffers (commonly 0.1–1.0% v/v). If precipitation occurs, test co‑solvent strategies (ACN or EtOH ≤5%) or cyclodextrin complexation where appropriate.
• Polarity class and dielectric behavior: Not specified for this item; measure as needed. When the structure is available, estimate logP/logS to guide formulation.
• Practical tips
  • Perform a mini solubility screen at the working concentration across PBS, HEPES, Tris, and cell‑based media with titrated DMSO.
  • Use 0.2 µm filtration only if the compound is stable and not prone to adsorption; otherwise rely on centrifugation to clear particulates.
  • For NMR/biophysical assays, prepare deuterated stocks (DMSO‑d6, CD3OD, or CD3CN) as appropriate.

All solvent choices should be finalized after consulting the item’s CoA/Spec Sheet and SDS.

Storage and Reconstitution

Storage conditions and shipping are provided in the Product Data. Item‑specific reconstitution parameters (e.g., exact solubility limits) are not provided.

• Storage
  • Store at −80°C (per Product Data). Maintain material in tightly sealed, inert‑atmosphere vials when feasible. Minimize headspace moisture and oxygen.
  • Avoid repeated freeze–thaw cycles. Prepare single‑use aliquots to preserve integrity.
• Shipping
  • Shipped on dry ice packs + cold packs to maintain low temperature during transit.
• Reconstitution (general guidance for screening compounds)
  • Allow the closed container to equilibrate to room temperature in a desiccator before opening to prevent moisture condensation.
  • Prepare concentrated stock solutions in anhydrous DMSO (e.g., 10–50 mM) unless the CoA/Spec Sheet recommends otherwise. Verify complete dissolution visually and by analytical check if critical.
  • For aqueous working solutions, dilute into pre‑chilled assay buffer with gentle mixing; keep final DMSO low to avoid precipitation.
• Stability
  • Solution stability, freeze–thaw tolerance, and photostability are not specified for this item; determine empirically and consult the CoA if available.

Always defer to the lot‑specific CoA and SDS for definitive storage and handling instructions.

Structure and Identity

This listing is part of Aladdin’s Moligand small‑molecule library intended for screening and chemical biology workflows. Item‑specific structural identifiers have not been disclosed in the Product Data.

• Product name: Oxazosulfyl (SKU: O1496495)
• CAS: 1616678-32-0
• PubChem CID: 90258515
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• 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

• 2D/functional features: Not specified for this item; refer to CoA/Spec Sheet. Without a disclosed structure, functional groups, ring systems, or stereochemical elements cannot be summarized here.

Notes on identity control (general guidance)

• For screening compounds, confirm identity by orthogonal methods where available (e.g., LC–MS with exact mass match, retention time alignment to reference; optional 1H NMR for spot checks).
• Record linkage to CAS and internal SKU on sample vials to maintain traceability across assays and SAR cycles.

Please consult the product CoA/Spec Sheet for the definitive identifiers and any lot‑specific analytical data.

Synthetic Utility

Without a disclosed chemical structure, specific synthetic transformations involving Oxazosulfyl cannot be enumerated. The following points outline general utility patterns for small‑molecule library members if repurposed as building blocks—applicability to this item is unknown and must be confirmed from the CoA/structure.

• Potential roles (general)
  • As a reference standard or spike‑in for analytical method development (LC–MS retention time markers, ionization efficiency studies) if stability permits.
  • As a starting point for scaffold hopping or analogue synthesis once the core chemotype and functional handles are known.
• Retrosynthetic planning
  • After structure disclosure, identify strategic disconnections aligning with robust cross‑couplings, amide couplings, or heterocycle‑forming reactions as appropriate. Reagent/condition choices hinge on the actual functional groups present.
• Protecting‑group and compatibility considerations
  • Establish sensitivity to acid/base, nucleophiles/electrophiles, and redox milieu before attempting derivatization; unknown for this item.

Conclusion: Treat this compound primarily as a screening probe. Any synthetic exploitation requires the definitive structure and properties from the CoA/Spec Sheet.

Target Specificity

Target, epitope, clone, isotype, and species reactivity information are applicable to biological macromolecules (e.g., antibodies), not to small‑molecule screening compounds. No target specificity data are provided for Oxazosulfyl in the Product Data.

• Target/epitope: Not applicable.
• Clone/isotype: Not applicable.
• Species reactivity: Not applicable.

If a biological target association exists in your program, document it in your internal records and cross‑reference the lot’s CoA and any in‑house assay reports.