S 1592 , CAS No.25552-58-3

CAS: 25552-58-3 Cat. No.: S1449974 Formule: C₂₁H₂₇ClN₂O₃ Poids moléculaire: 390.90

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

S 1592 is a compound that possesses bronchodilating and antianaphylactic properties and does not affect gastrointestinal propulsion.

Specifications

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: 390.90

Application Protocols

No tested or recommended protocols are provided in the Product Data for S 1592. This section typically includes assay-specific conditions (e.g., WB, IHC, IF, FC for antibodies) or usage guidelines for small-molecule probes.

• Validated applications: Not specified for this item; refer to CoA/Spec Sheet.
• Recommended working concentrations/dilutions: Not specified for this item; refer to CoA/Spec Sheet.

General protocol development tips (structure-agnostic):

• Prepare a fresh, small stock solution under the recommended storage constraints (−20°C). Filter if necessary and compatible.
• Perform a short stability study of the stock at room temperature and 4°C over the anticipated assay duration.
• Run a concentration-response pilot to bracket the effective window while watching for nonspecific effects (e.g., aggregation, autofluorescence, solvent artifacts).
• Document solvent vehicle effects; keep final DMSO ≤0.5–1% v/v in biological assays when possible.

Always confirm details from the item’s CoA/SDS before implementing laboratory protocols.

Biological Roles

No biological function, pathway involvement, or endogenous role is provided for S 1592. Do not attribute biochemical activity without structure and validated data.

• Biological role: Not specified for this item; refer to CoA/Spec Sheet and primary literature.
• Target/pathway associations: Not specified for this item; refer to CoA/Spec Sheet.
• Enzyme/ligand interactions: Not specified for this item; refer to CoA/Spec Sheet.

General laboratory considerations for life-science category materials:

• If used in cell-based work, first confirm identity and contaminant profile (endotoxin, residual solvents, metals) when relevant to the assay. These parameters are not specified here.
• Assess stock solution behavior at −20°C: precipitation on thaw, adsorptive losses, or hydrolysis.
• Test compatibility with common buffers (PBS, HEPES) and serum proteins; evaluate binding or precipitation risks by UV–vis and DLS if applicable.

Research use only: Per Product Data, this product is for research use only and is not intended for human or veterinary applications.

Buffer Applications

Buffering characteristics (pKa values, effective pH range) are not provided for S 1592, and it is not known to be a dedicated buffering agent from the current Product Data. Therefore, no specific buffer recipes can be recommended.

If you intend to dissolve or dose S 1592 in buffers (general guidance):

• Start with neutral pH buffers (e.g., 1× PBS, 10–50 mM HEPES, pH 7.2–7.5) and evaluate solubility/stability at working concentrations.
• If pH sensitivity is suspected after identity is known, assess stability at pH 5.5, 7.4, and 9.0 over 24–72 h at 4°C and room temperature.
• Filter sterilization: For aqueous stocks intended for sterile workflows, filter through 0.22 µm PES/PTFE filters if compatible with the solvent; verify no analyte loss by adsorption.
• Salt effects: Check for precipitation in high ionic strength media (≥0.5 M NaCl) if hydrophobicity is suspected.

Conclusion: Buffer design for this product is not typically applicable without structural information. Prioritize identity confirmation and consult the CoA/SDS before use.

Green Alternatives

Because the structure and use case of S 1592 are not disclosed, specific greener substitutions cannot be prescribed. Nevertheless, sustainable decision-making can still be applied around its use, solvents, and processing.

Greener practice guidelines (general):

• Solvent hierarchy: Prefer water, bio-based alcohols (EtOH, i-PrOH), esters (EtOAc), and 2-MeTHF or CPME over chlorinated solvents where technically feasible (literature). Avoid DMF/NMP unless required by performance.
• Reaction intensification: Use flow chemistry, photochemistry, or electrochemistry to reduce stoichiometric reagents and waste when the chemistry permits.
• Energy minimization: Favor ambient temperature/pressure and avoid prolonged cryogenic or reflux conditions unless mechanistically justified.
• Workup improvements: Use in-situ quench/phase-split strategies, solid-supported scavengers, and minimal solvent crystallizations to reduce solvent volumes.
• Waste and EHS: If the material is halogenated, metal-containing, or persistent, segregate and label waste streams. Verify degradability and avoid unnecessary excess.

Illustrative solvent comparison (general):

• THF → 2-MeTHF: similar utility with improved safety/greenness profile (literature), but watch for different miscibility and azeotrope behavior.
• DCM → EtOAc/Heptane: greener extraction alternatives with modified selectivity; may require process optimization.

Always re-validate reaction performance and product quality when implementing greener substitutions.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or processing application is provided for S 1592. Do not infer any therapeutic or clinical use.

• Regulatory/compendial status: Not specified for this item; refer to CoA/Spec Sheet.
• Function in formulations (e.g., excipient, processing aid): Not specified for this item; refer to CoA/Spec Sheet.

General formulation guidance for research-only materials:

• If the material is to be used as a research excipient or processing additive, perform extractables/leachables assessments with intended containers (glass vs plastic) and processing solvents.
• Assess residual solvents, water content, and metals that may impact stability of actives—none are specified here.
• Establish small-scale stability studies at −20°C (per storage guidance), 4°C, and ambient to define a research-use shelf-life before larger preparations.

Compliance notice: For research use only (per Product Data). Not for use in humans or in GMP manufacturing without additional qualification.

Physical Properties

Item-specific physicochemical specifications are not provided in the current Product Data. Do not assume values; consult the CoA/Spec Sheet or SDS for authoritative numbers.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (literature/computed): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (literature/computed): Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• pKa / pKb: Not specified for this item; refer to CoA/Spec Sheet.
• logP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• Hygroscopicity: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.

Practical advice when properties are unknown (general):

• Run a small solubility screen (50–100 mg scale): water, MeOH, EtOH, ACN, DMSO, DMF, acetone, EtOAc, toluene, hexanes, and buffers at pH 4/7/9.
• If shipped cold and stored at −20°C, avoid prolonged warming; characterize quickly to minimize degradation risk of labile entities.
• If polymeric or a mixture, properties may be ranges rather than exact values; verify by DSC/TGA, GPC/SEC, and Karl Fischer or residual solvents as relevant.

Quality and Grades

The current Product Data does not list a specific grade or purity for S 1592.

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

Interpreting grade (general guidance):

• Research/biochemical grade emphasizes functional performance and lower contaminant profiles for laboratory workflows.
• HPLC/LC–MS grade solvents/reagents prioritize low UV background, low particulate, and low metal/ionic content for chromatography and trace analyses.
• Synthetic/technical grade materials may be suitable for process screening but can carry higher levels of volatiles, metals, or peroxides (if relevant for class).

What to look for on the CoA/Spec Sheet:

• Assay method and acceptance limits (e.g., qNMR, GC, HPLC area %). If a mixture/polymetric item, distribution data (Mn/Mw, PDI) or composition ratios.
• Residual solvents, water (Karl Fischer), ash/metals, stabilizer content, and if applicable, inhibitor type and level.
• Performance tests (e.g., activity, binding, or functional readouts for life-science reagents) if relevant to the category.

Research use statement:

• For research use only (per Product Data). Not for human or veterinary use, clinical diagnostics, or household purposes.

Reaction and Applications

Specific reaction roles or biological applications for S 1592 are not stated in the Product Data. Without structural information, do not assign reactivity or application scope. The following guidance outlines a general, structure-agnostic approach to integrating an unfamiliar reagent into research workflows.

• Establish identity and purity: Confirm with orthogonal analytical methods (e.g., LC–MS, NMR, IR, HRMS if needed) before synthetic deployment or bioassay work.
• Small-scale scouting: Run micro-reactions (≤0.05 mmol) across plausible roles—substrate, ligand, additive, catalyst precursor—only if justified by emerging analytical or literature cues (after identity is known).
• Compatibility mapping: Assess stability versus heat, light, air, moisture, acids/bases, and oxidants/reductants. Use TLC/UPLC to track degradation profiles.
• If intended for life-science experiments (category indicates Life Science), evaluate:
  • Stock solution stability at −20°C and 4°C.
  • Freeze–thaw tolerance and adsorption to plastics vs glass.
  • Matrix effects in common buffers (PBS, HEPES) and serum-containing media, if applicable.

Documentation: Capture exact lots, conditions, and observations since behavior can vary if the item is a mixture or contains stabilizers (see CoA/Spec Sheet for any such notes).

Reaction Conditions

No item-specific reaction conditions (solvents, catalysts, temperatures) are provided. The following is general guidance for condition scouting once the identity and role of S 1592 are known.

• Solvent screening: Explore a polarity spread (e.g., toluene, EtOAc, MeCN, DCM, THF/2-MeTHF, DMF/DMSO) mindful of stability and greenness. Start at 0.05–0.2 M to simplify heat/mass transfer.
• Temperature: Begin at ambient. If sluggish, stepwise increments of 10 °C up to 60–80 °C as compatible. For exothermic processes, use calorimetry or RC1 data if available.
• Atmosphere: Default to inert gas (N2/Ar) until oxygen/moisture tolerance is demonstrated. Dry glassware and anhydrous solvents decrease variability.
• Catalysts/additives: Trial bases (organic/alkoxide/carbonate) and acids (Brønsted/Lewis) only after compatibility is known. Use small-scale parallel screening.
• Time and monitoring: 0.5–24 h typical scouting window. Monitor by TLC and/or UPLC–MS; quench aliquots appropriately to avoid post-quench degradation.
• Workup: Choose orthogonal quench/workup to the reaction class (acidic vs basic washes). Validate recovery and purity by qNMR or calibrated HPLC.

Note: Avoid committing to scale-up until identity, impurity profile, and stability under process conditions are fully defined (data package including CoA and SDS).

Safety and Handling

GHS classification and detailed hazard information are not provided in the Product Data. Always consult the product-specific SDS for authoritative safety guidance before use.

• Signal word, hazard statements, pictograms: Not specified for this item; refer to SDS.
• General PPE: Lab coat, safety glasses or face shield, and appropriate chemical-resistant gloves. Use in a fume hood to control inhalation exposure.
• Storage: Store at −20°C (per Product Data). Keep container tightly closed. Minimize freeze–thaw cycles by aliquoting when feasible.
• Handling: Allow to equilibrate briefly before opening to reduce condensation uptake. Avoid contact with incompatible materials (acids/bases/oxidants/reductants) until compatibility is known.
• Incompatibilities: Not specified for this item; check SDS. When identity is uncertain, segregate from strong oxidizers and acids/bases by default.
• First aid (overview; defer to SDS):
  • Inhalation: Move to fresh air; seek medical attention if symptoms persist.
  • Skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing; obtain medical advice.
  • Ingestion: Rinse mouth; do not induce vomiting unless directed by medical personnel; seek medical attention.
• Spill/accident: Contain and collect with inert absorbent (liquids) or dampen to avoid dust (solids). Dispose per local regulations.
• Fire: Unknown flammability. Use CO2, dry chemical, or foam; cool containers with water spray. Firefighters should wear SCBA.

Solvent Selection

Solubility and polarity for S 1592 are not provided. When solvent behavior is unknown, apply a tiered solubility and compatibility screen to rapidly identify workable media for weighing, stock preparation, or reactions.

Suggested workflow (general):

• Start with a 10–20 mg test portion and evaluate at room temperature:
  • Protic/polar: water, MeOH, EtOH, i-PrOH.
  • Polar aprotic: ACN, DMSO, DMF, NMP.
  • Moderately polar: acetone, EtOAc, MeTHF.
  • Nonpolar: toluene, DCM, chloroform, hexanes/heptane.
• If pH-dependent ionization is possible, test aqueous buffers at pH 4.0 (acetate), 7.0 (phosphate), and 9.0 (borate) to probe salt-forming behavior.
• For moisture/oxygen-sensitive materials, perform screening under inert atmosphere with anhydrous solvents.

Small comparison (general considerations):

• DMSO vs DMF: DMSO offers broad solubility and benign vapor pressure; DMF may better solvate some salts but carries regulatory scrutiny in some settings.
• MeCN vs acetone: MeCN is more polar, lower viscosity; acetone is more volatile and may co-precipitate impurities upon antisolvent crystallization.
• 2-MeTHF vs THF: 2-MeTHF provides greener credentials and reduced peroxide risk (literature) with altered polarity index.

Tip: Once a suitable solvent is identified, prepare frozen aliquots at −20°C to match the specified storage condition and minimize freeze–thaw exposure.

Storage and Reconstitution

Follow the supplied storage guidance and general best practices to preserve material integrity.

• Storage conditions: Store at −20°C (per Product Data). Protect from moisture and light unless the CoA/SDS indicates otherwise. Keep container tightly sealed.
• Shipping: Shipped in ice chest with ice pads (per Product Data). Upon receipt, transfer to −20°C promptly.
• Stability: Not specified for this item; refer to CoA/Spec Sheet. Until stability is known, minimize time at room temperature and avoid repeated freeze–thaw.

General reconstitution guidance (when solvent suitability is unknown):

• Allow vial to equilibrate briefly to reduce condensation, then open.
• Test solubility with a micro-screen in appropriate solvents (water, alcohols, DMSO/DMF, MeCN, buffers). Begin at 1–10 mg/mL.
• If a stable stock is identified, prepare single-use aliquots in inert, compatible containers (glass vials with PTFE-lined caps for organic solutions; low-binding plastic for aqueous as appropriate).
• Label aliquots with concentration, solvent, and date; store at −20°C. Avoid frost-free freezers that cycle temperatures.
• Thaw on ice or at room temperature as compatible; mix gently to avoid foaming or shear-sensitive degradation.

Disposal: Follow institutional and local regulations. Consult the SDS for classification of waste streams and any special handling requirements.

Structure and Identity

Brief overview: This listing (S 1592, CAS 25552-58-3) does not include a structural description. Identity-critical fields are not supplied in the current Product Data and should be confirmed from the item’s CoA/Spec Sheet prior to use.

• SKU: S1449974
• Product Name: S 1592
• CAS: 25552-58-3
• 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.
• InChI/InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• Synonyms/Identifiers: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general guidance):

• Functional groups, ring systems, and stereochemistry cannot be described without the structural formula. Obtain the latest CoA/Spec Sheet for definitive structural identity prior to method development, quantitation, or regulatory documentation.

Documentation best practices:

• Cross-verify the CAS (25552-58-3) against your internal database or literature index.
• If the material is a mixture/polymer, expect distributional descriptors (e.g., Mn/Mw, composition) on the CoA rather than a single exact formula.
• For analytical confirmation, retain a small portion for orthogonal ID (e.g., 1H/13C NMR, LC–MS, IR) after receipt.

Synthetic Utility

The specific synthetic role of S 1592 cannot be defined from the current Product Data. Without the structure, assigning reactivity, functional-group compatibility, or role in named reactions would be speculative.

General strategy for integrating an unknown or newly sourced reagent:

• Analytical confirmation: Verify identity and purity via NMR, LC–MS/GC–MS, IR; evaluate water content (KF) and thermal profile (DSC/TGA) as appropriate.
• Pilot transformations: After structure is known, probe orthogonal reactivity on 10–50 mg scale to map selectivity and stability. Capture side products by LC–HRMS to inform protective group or solvent choice.
• If the compound is a mixture/polymer: Determine averages (Mn/Mw), PDI, and functional group density; select catalysts/conditions that tolerate distributional feedstocks.
• Documentation: Record stoichiometry on a per-functional-group basis when assay <100% or when stabilizers are present.

Retrosynthetic planning (general):

• If S 1592 is later identified as a building block, place it at a convergence point to maximize step economy. Consider late-stage diversification and telescoped sequences to mitigate handling of unstable intermediates.

Target Specificity

Target specificity data (e.g., antigen, epitope, enzyme binding, receptor selectivity) are not provided for S 1592. This section is typically applicable to biologics (antibodies, proteins) or small-molecule ligands with defined targets.

• Antigen/Target: Not specified for this item; refer to CoA/Spec Sheet.
• Species reactivity / selectivity: Not specified for this item; refer to CoA/Spec Sheet.
• Clone/isotype (if antibody): Not applicable; not specified in Product Data.

If S 1592 is intended as a biochemical probe (to be confirmed from identity documents), perform orthogonal target-engagement assays (e.g., CETSA, SPR, ITC, enzymology) after confirming structure and purity.