Antibacterial agent 58 , CAS No.1426572-65-7

CAS: 1426572-65-7 Cat. No.: A1418510 Formule: C₈H₁₁N₆NaO₅S Poids moléculaire: 326.26

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Antibacterial agent 58, an antibacterial agent, significantly lowers MIC value of antibacterial agent Ceftazidime.

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.

Type d'action

INHIBITOR

Noms et identifiants

Poids moléculaire

326.26

Application Protocols

No item-specific tested applications or recommended conditions are provided. The following outlines general, non-clinical workflows for antibacterial screening.

• Stock preparation (general): Dissolve in anhydrous DMSO to 10–50 mM. Vortex and, if necessary, sonicate briefly. Filter-sterilize through 0.22 µm PTFE for cell-based assays if compatible.
• MIC (broth microdilution): Prepare 2-fold serial dilutions in cation-adjusted Mueller–Hinton broth with matched vehicle control. Inoculate standardized bacterial suspensions (e.g., 5×10^5 CFU/mL). Incubate 16–20 h at 35–37°C; read MIC as the lowest concentration with no visible growth.
• Time–kill assay: Expose mid-log cultures to 1×, 2×, and 4× MIC; enumerate CFU at defined intervals to assess bacteriostatic vs bactericidal trends.
• Checkerboard synergy: Combine with comparator antibiotics in two-dimensional dilution matrices; compute FIC indices to evaluate interactions.

Note: Parameters above are general literature practices and must be verified/adjusted per organism, medium, and SOP. Item-specific recommendations are not specified for this item; refer to CoA/Spec Sheet and institutional protocols.

Biological Roles

Item-specific biological targets, pathways, and mechanisms are not provided. Treat this compound as an anonymized antibacterial research agent.

• Intended research role: Tool compound for studying bacterial growth inhibition in vitro. Applications include initial hit discovery, spectrum profiling, and preliminary mechanism hypotheses via phenotype.
• Assay contexts (general): Broth microdilution (MIC determination), agar diffusion, time–kill kinetics, biofilm inhibition assays, and counterscreens for cytotoxicity in mammalian cells to assess selectivity.
• Potential follow-ups (general): Target deconvolution using resistant mutants, chemical proteomics (if derivatizable), or transcriptomic responses after exposure. These should be designed after structural verification.

Caveats:

• No target specificity, biochemical potency, or selectivity data are provided in the product data.
• All work should be conducted under research-use-only conditions with appropriate biosafety practices. No medical or clinical claims are made or implied.

Buffer Applications

This product is a small-molecule antibacterial screening compound and is not itself a buffer reagent. Accordingly, specific buffer formulations are not applicable.

Practical notes for assay buffers (general):

• Vehicle control: Maintain identical DMSO (or other solvent) percentage in control and treated wells to avoid confounding effects.
• Common microbiology media: Cation-adjusted Mueller–Hinton broth for MIC; appropriate supplements for fastidious organisms. Buffer selection should follow the organism’s growth requirements.
• Precipitation checks: Upon diluting DMSO stocks into aqueous buffers or media, inspect for turbidity; consider gentle warming or surfactants compatible with the assay if needed.

Item-specific buffer recommendations are not specified for this item; refer to your assay SOPs.

Green Alternatives

While this is a screening compound rather than a solvent or bulk reagent, greener handling choices can reduce environmental impact during solution prep and assay workflows.

• Prefer lower-toxicity co-solvents where feasible: If the compound dissolves adequately, consider ethanol or isopropanol as intermediate solvents over DMF or NMP. Balance with assay compatibility and compound stability.
• Minimize DMSO usage: Reduce stock concentrations only if solubility allows, thereby lowering final DMSO in assays. Validate that precipitation does not occur upon dilution.
• Use micro-scale preparations: Prepare only the volume needed for immediate assays to reduce waste and repeated freeze-thaw cycles.
• Solvent recovery: For larger method-development batches (e.g., analytical prep), capture and recycle acetonitrile/ethanol where infrastructure allows.

Illustrative comparison (general):

• DMSO (benchmark): Excellent solvency; moderate environmental profile; potential assay interference at higher %.
• Ethanol/IPA (greener): Renewable availability, lower toxicity; may have limited solvency for polyaromatics/heterocycles.
• Acetonitrile (analytical): Volatile, recyclable; toxicity considerations; strong utility for LC.

Final note: Because compound-specific stability data are not provided, validate any solvent switch with rapid LC–MS and activity checks to ensure no degradation or solubility loss.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing specifications are provided. This item is supplied strictly for research use only.

• Regulatory status: Not specified for this item; refer to CoA/Spec Sheet. Not for human or veterinary use.
• Formulation context (research only): If used in pre-formulation studies or in vitro assessments, typical vehicles include DMSO or ethanol for stock solutions followed by dilution into appropriate media. Confirm solubility and stability empirically.
• Impurities, residual solvents, heavy metals: Not specified for this item; refer to CoA/Spec Sheet.

Any discussion of therapeutic application is outside the scope of this research chemical listing and is not implied.

Physical Properties

Item-specific physicochemical data are not disclosed in the product data. Verify values on the CoA/Spec Sheet for your lot.

• 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.
• Refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• logP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.

Practical guidance (general/literature practices for anonymous library members):

• Initial dissolution is commonly attempted in anhydrous DMSO at 10–50 mM, then diluted into assay media. If precipitation is observed, evaluate co-solvents (water-miscible alcohols) or surfactants compatible with the assay.
• If the compound is solid, a melting point screen can help confirm identity and purity trends across lots (method-dependent; consult CoA for specifications). If it is an oil, NMR integration and LC–MS purity assessment are preferred.
• Hygroscopicity and polymorphism are unknown; minimize atmospheric exposure until specifications are consulted.

Quality and Grades

Grade/purity are not specified in the product data. For definitive information, consult the CoA/Spec Sheet shipped with the lot.

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• QC documentation: Library members are typically accompanied by LC–MS and/or 1H NMR data and a purity threshold (commonly ≥90–95% area by LC at a specified wavelength). Confirm the analytical method (column, gradient, detection) on the CoA.
• Stabilizers/Inhibitors: Not specified for this item; refer to CoA/Spec Sheet.
• Impurity profile: Not specified for this item; refer to CoA/Spec Sheet.

Interpreting grade (general guidance for screening compounds):

• Screening-grade compounds are optimized for discoverability in biological assays (e.g., solubility in DMSO, LC–MS identity confirmation). They are not intended for GMP or clinical uses.
• If low-UV absorbance or metal content is critical (e.g., photophysical assays or metalloenzymes), specify these requirements before ordering; such attributes are not implied unless listed on the CoA.
• For SAR or scale-up, request lot-to-lot consistency data and orthogonal identity confirmation (1H/13C NMR, HRMS).

Reaction and Applications

This product is intended as an antibacterial screening compound for research use. No specific chemical reactivity or synthetic application is claimed in the product data.

Research applications (general, non-clinical):

• Microbiology screening: Evaluate growth inhibition across bacterial panels (aerobic/anaerobic; Gram-positive/Gram-negative) to identify MIC trends and spectrum hypotheses.
• Mechanism exploration: Follow-up target deconvolution via chemogenomics or resistant mutant selection after initial phenotypic hits.
• Combination studies: Checkerboard assays with standard antibiotics to assess potential synergy or antagonism (e.g., FIC indices), ensuring DMSO vehicle controls.
• Physicochemical triage: Parallel solubility, stability (pH/light), and plasma protein binding assessments to guide hit prioritization.

Notes:

• No mechanistic class, target, or scaffold information is provided for this item; treat as a blinded library member until structure is disclosed on the CoA/Spec Sheet.
• Avoid overinterpretation of single-point inhibition; employ full dose–response with proper statistical replication.
• For downstream chemistry, secure structural disclosure and IP review before analog synthesis.

Reaction Conditions

Not applicable as a reagent: The product is supplied as an antibacterial screening compound, not as a substrate or catalyst for chemical reactions. No reaction condition guidance is relevant without structural and functional-group information.

If chemical modification is contemplated (general guidance):

• Obtain full structure and purity data from the CoA/Spec Sheet.
• Pilot derivatizations should be preceded by analytical stability screens (LC–MS under acid/base/oxidative/light stress) to identify liabilities.
• Choose conditions based on actual functional groups present; avoid generic conditions that may cause decomposition.

In absence of structure, do not attempt synthetic manipulations intended for general reagents.

Safety and Handling

Hazard classification and GHS details are not provided in the product data. Handle as a research chemical of unknown hazard profile and consult the SDS supplied with the shipment.

• GHS/Signal word/H-statements/Pictograms: Not specified for this item; refer to SDS.
• General precautions: Use in a fume hood with appropriate PPE (lab coat, safety glasses, nitrile gloves). Avoid inhalation of dust/aerosols and contact with skin or eyes. Prevent release to the environment.
• Incompatibilities: Unknown for this specific item; as a conservative practice, segregate from strong oxidizers, strong acids/bases, and reducing agents until specific compatibility information is available.
• First aid (general): In case of skin/eye contact, rinse with water for ≥15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If ingested, rinse mouth and seek medical advice. Follow site SOPs and SDS guidance.
• Fire safety: Treat as an organic compound potentially combustible; use CO2, dry chemical, or foam. Avoid water jets unless compatible with storage state and container integrity.
• Waste: Collect as organic chemical waste per institutional and local regulations. Do not dispose to drain.
• Special note: No data are provided on sensitization, mutagenicity, or aquatic toxicity; minimize exposure and document risk assessment before use in biological laboratories.

Solvent Selection

Because solubility parameters are not provided, begin with conservative, commonly compatible solvent systems for small-molecule screening.

• Primary stock solvent (general practice): Anhydrous DMSO for 10–50 mM stocks, filter-sterilized if needed for cell-based assays.
• Stepwise solubility screen: DMSO → DMF → ethanol → isopropanol → acetonitrile → water (with surfactants if assay-compatible). Document turbidity or precipitation upon dilution into buffers or media.
• Miscibility considerations: DMSO is fully miscible with water and most polar organics, enabling controlled aqueous dilution. Limit final DMSO to ≤0.1–1% v/v in sensitive biological assays, as appropriate.
• Light/air sensitivity: Unknown for this item. Prepare solutions under subdued light and inert gas if the CoA or preliminary tests indicate instability.

Quick comparison (general):

• DMSO: Highest solvating power for diverse heterocycles; may affect some enzyme assays.
• DMF: Strong solvent; more challenging tox profile; avoid in living-cell contexts.
• Ethanol/IPA: More benign; lower solvency for many aromatic heterocycles; good for plate coating/evaporation.
• Acetonitrile: Useful for analytical prep and LC; volatility aids drying; moderate solvency.

Always confirm compatibility with downstream assays and plastics (e.g., PP vs PS microplates).

Storage and Reconstitution

Storage conditions provided in the product data:

• Long-term storage: Store at −20°C (as specified for this item).
• Shipping: Shipped in an ice chest with ice pads (as specified), indicating temperature-controlled logistics.

Additional guidance (general best practices for small-molecule screening compounds):

• Protect from moisture and light until lot-specific sensitivity is known. Keep container tightly closed under inert gas if feasible.
• Avoid repeated freeze–thaw: Prepare single-use aliquots of concentrated stock solutions (commonly 10–50 mM in dry DMSO), and store aliquots at −20°C. Thaw only once before use.
• Reconstitution solvent: Not specified for this item; refer to CoA/Spec Sheet. In practice, DMSO is typically used first; confirm solubility and stability by LC–MS.
• Stability: Not specified for this item; refer to CoA/Spec Sheet. Perform short stability checks (e.g., 24–48 h at assay temperature) prior to large experiments.
• Labeling: Record lot number, concentration, solvent, and preparation date on each aliquot. Use secondary containment for freezer storage to mitigate spill risk.

Research Use Only: As noted, this product is for research use only.

Structure and Identity

Brief overview: This listing is for a small-molecule antibacterial screening compound supplied as “Antibacterial agent 58.” Structural identifiers are not provided in the product data and should be confirmed from the CoA/Spec Sheet for the specific lot.

• CAS: 1426572-65-7 (as provided)
• Product type: Small-molecule screening compound (antibacterial library member)
• 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.
• Stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.
• Structural features: Not specified for this item; refer to CoA/Spec Sheet.

General note (context): Without a disclosed structure, treat this as a coded library member. For cheminformatics tracking, use the CAS together with the Aladdin SKU (A1418510) and any lot-specific identifiers from the accompanying documentation.

Synthetic Utility

This listing is for a finished screening compound rather than a synthetic building block or reagent. No reactive handles, functional-group details, or derivatization pathways are provided in the product data.

• Synthetic transformations: Not applicable without structural disclosure. Do not assume amenability to cross-coupling, amide coupling, or late-stage diversification.
• If analog development is planned: Obtain full structural information, confirm purity by orthogonal methods, and assess synthetic accessibility before initiating SAR campaigns. Consider retrosynthetic tractability, chiral center stability, and patent landscape once the structure is known.

Summary: Treat this material as a target compound for biological testing. Synthetic utility cannot be described based on the provided information.

Target Specificity

Target, mechanism of action, and specific bacterial pathways for this compound are not provided in the product data.

• Known targets/epitopes/clones: Not specified for this item; refer to CoA/Spec Sheet.
• Species range: Not specified for this item; determine empirically via MIC testing against relevant bacterial strains.

Conclusion: Treat as an anonymized tool compound with unknown specificity until experimental evidence or supplier documentation indicates otherwise.