Antibacterial agent 80 , CAS No.2902561-34-4

CAS: 2902561-34-4 Cat. No.: A1416554 Formule: C₁₄H₂₁N₃S₂ Poids moléculaire: 295.47

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Antibacterial agent 80 (compound 20) is an antibacterial agent.

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

295.47

Application Protocols

No vendor-validated application protocols are provided for this item in the catalog entry.

• Tested applications: Not specified for this item; refer to CoA/Spec Sheet.
• Recommended concentrations/dilutions: Not specified for this item; refer to CoA/Spec Sheet.
• Positive controls/standards: Not specified for this item; refer to CoA/Spec Sheet.

Users should apply internal SOPs for antibacterial compound evaluation (e.g., broth microdilution MIC per CLSI/EUCAST) and document solvent controls, plate maps, and QC criteria. For authoritative procedures, consult recognized standards and your institution’s methods library.

Biological Roles

Item-specific biological mechanism, target, and pathway data are not provided for this product. The following context summarizes typical roles of small-molecule antibacterial agents in research (general knowledge; not item-specific).

• Mechanistic classes: Small-molecule antibacterials often inhibit essential bacterial processes such as cell-wall biosynthesis (e.g., PBPs, Mur enzymes), protein synthesis (ribosomal subunits), DNA replication/repair (DNA gyrase/topoisomerase IV), RNA synthesis (RNA polymerase), folate pathway enzymes (DHPS/DHFR), membrane integrity, or metabolic nodes.
• Phenotypic outcomes: Growth inhibition (bacteriostatic) or killing (bactericidal) depending on target engagement, concentration, and bacterial species/conditions.
• Resistance considerations: Selection pressure can elicit target mutations, efflux upregulation, permeability changes, or enzymatic drug modification. Early resistance profiling (serial passage, WGS) informs SAR and MoA studies.
• Host interaction caveat: In cell-based co-culture or microbiome models, off-target effects on eukaryotic cells or commensal bacteria should be evaluated experimentally; maintain solvent controls and cytotoxicity counterscreens.
• ADME in vitro: Stability in assay media, protein binding to broth components, and carryover adsorption to plastics can influence apparent potency; pre-equilibration and plate treatment (e.g., low-bind plastics) may reduce variability.

For Antibacterial agent 80 specifically, consult the CoA or vendor technical note for any available target hypotheses, strain panels, or baseline MIC references.

Buffer Applications

This product is not a buffering reagent. No item-specific buffer system, pKa, or buffering range is provided.

Practical notes (general)

• If the compound is evaluated in microbiological assays, prepare buffers/media (e.g., MH broth, LB, defined media) according to established protocols and maintain consistent pH/ionic strength to avoid confounding effects on bacterial growth.
• When making aqueous working solutions, use pre-warmed media to aid dissolution only if compatible with the compound’s stability (verify by LC–MS). Keep vehicle controls matched in pH and solvent content.

Item-specific buffer properties: Not specified for this item; refer to CoA/Spec Sheet.

Green Alternatives

With structure and solubility unknown, greener choices mainly concern solvent handling during solution preparation and assay dilution.

General solvent strategy (literature-based)

• Prefer ethanol or water/co-solvent systems over high-toxicity dipolar aprotics (DMF, NMP) when solubility allows.
• Use minimal DMSO concentration in biological assays (typically ≤0.5–1% v/v), as lower solvent burdens reduce environmental impact and potential assay artifacts.

Comparison of common vehicles (general guidance)

• Ethanol: Renewable feedstocks available; lower aquatic toxicity vs DMF/NMP; flammable—manage ignition sources.
• DMSO: Biodegradable and relatively low volatility; can enhance transport of chemicals—control exposure and waste routing.
• DMF/NMP: High solvency but recognized reproductive hazards and persistence; avoid if alternatives suffice.

Operational greening

• Prepare high-concentration master stocks to minimize total solvent usage and shipping mass.
• Use microvolume aliquots to reduce freeze–thaw waste and extend shelf life.
• Implement closed-well plate formats and sealed reservoirs to curb evaporation and VOC emissions.

Note: No specific green chemistry benefits or hazards are assigned to Antibacterial agent 80 in the catalog entry. Decisions should be based on the CoA/SDS and your lab’s solvent policy.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation specifications are provided for this product. It is supplied strictly for research use (screening and discovery) and is not intended for human or veterinary use.

General R&D context (non–item-specific)

• In early discovery, antibacterial small molecules may be formulated as DMSO stocks for in vitro assays and, if advanced, as simple vehicles (e.g., aqueous saline with co-solvent and surfactant) for exploratory non-clinical studies. Such uses require stability, sterility, and dose accuracy validation.
• Preformulation screens typically assess solubility across pH 2–8, chemical stability (hydrolysis/oxidation), and compatibility with common excipients. Salt selection or prodrug strategies can modulate solubility and permeability where appropriate.
• Solid-state characterization (XRPD, DSC/TGA) and polymorph control become critical when scaling for extended research programs; none of these data are specified for this item.

Item-specific pharmaceutical/formulation information: Not specified for this item; refer to CoA/Spec Sheet and SDS.

Physical Properties

Item-specific physicochemical data are not included in the current listing.

• Appearance: 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: Not specified for this item; refer to CoA/Spec Sheet.
• pKa: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index (nD): Not specified for this item; refer to CoA/Spec Sheet.

General laboratory guidance (literature/practice, not item-specific)

• For small-molecule antibacterial agents used in screening, dimethyl sulfoxide (DMSO) is commonly used for primary stock solutions (e.g., 10–20 mM), then diluted into assay media to ≤1% v/v DMSO to minimize solvent effects on microbial growth.
• If water solubility is required, evaluate co-solvent systems (e.g., water with ≤10% v/v ethanol or DMSO) and consider pH adjustment only when consistent with the molecule’s stability profile (consult CoA/SDS).
• Verify solution stability by quick LC–UV or LC–MS at time 0 and after incubations relevant to your assay (e.g., 24 h at 37°C in broth) to detect precipitation, hydrolysis, or oxidation.
• For hygroscopic or air-sensitive compounds (unknown for this item), prepare solutions under dry, inert conditions and aliquot to avoid freeze–thaw cycling.

Always defer to the product’s CoA and SDS for definitive property data and handling limits.

Quality and Grades

Grade/purity and analytical specifications are not listed in the current catalog entry.

Item-specific quality information

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Stabilizers/Inhibitors: Not specified for this item; refer to CoA/Spec Sheet.
• Analytical characterization: Not specified for this item; refer to CoA/Spec Sheet (request LC–MS, HPLC/UPLC purity, NMR where available).

Guidance on interpreting grades (general knowledge)

• Screening-library small molecules are commonly provided at high chemical purity (often ≥90–95% by HPLC) with identity confirmed by MS; however, only the CoA defines the specifications for a particular lot.
• For bioassay reproducibility, review residual solvent levels, water content (Karl Fischer), and any stabilizers or counter-ions that may influence microbiological assays.
• Low UV cut-off or “HPLC grade” claims apply to solvents rather than solids; for analytes, look for chromatographic purity, absence of closely eluting isomers, and control of inorganic residues or metals when relevant to the compound class.

Best practices

• Before screening, perform incoming QC: quick HPLC-UV purity check at multiple wavelengths (e.g., 210/254/280 nm), LC–MS for mass confirmation, and, if critical, orthogonal identity checks (1H NMR). Establish acceptance criteria aligned with your assay sensitivity.
• If the item is hydrated, forms solvates, or is a salt (unknown here), normalize concentrations to free-base/acid equivalents using CoA information.

Reaction and Applications

This product is positioned as a small-molecule antibacterial agent for research. No synthetic transformation role is claimed for the item itself. The following focuses on laboratory applications in antibacterial discovery and evaluation.

Applications (research use only)

• Primary antimicrobial screening: Determine MIC values against target bacterial strains using broth microdilution per CLSI/EUCAST guidance (general practice). Track solvent carryover ≤1% v/v.
• Time–kill kinetics: Assess bacteriostatic vs bactericidal behavior across multiple time points at 1×–4× MIC in appropriate media (general methodology).
• Spectrum profiling: Test Gram-positive and Gram-negative panels to map activity breadth and prioritize follow-up chemistry (general approach).
• Combination studies: Checkerboard or fixed-ratio assays to quantify synergy/antagonism with reference agents (e.g., fractional inhibitory concentration index), ensuring no solvent artifacts.
• Mechanistic hypotheses: Depending on observed phenotypes, proceed to target deconvolution (e.g., resistance selection/sequencing, macromolecular synthesis assays, membrane potential or permeability probes). These are general workflows; not item-specific.

Analytical support

• Employ LC–MS to verify compound integrity before and after incubation in assay media (37°C), and to monitor carryover in microbiological readouts.

Note: Specific mode of action, target class, and potency metrics for Antibacterial agent 80 are not provided in the catalog entry; refer to CoA/Spec Sheet or internal validation data.

Reaction Conditions

Not applicable. This product is not presented as a reagent for chemical transformations, and no reaction condition guidance is provided in the catalog entry.

If you intend to modify or derivatize the compound for SAR purposes, obtain full structural information and stability data from the CoA, then develop conditions based on the functional groups present. Absent those data, no general synthetic conditions can be responsibly recommended.

Safety and Handling

Authoritative safety data are provided in the SDS. The following summarizes available catalog information and general laboratory precautions.

Item-specific safety data

• GHS classification: Not specified for this item; refer to SDS.
• Signal word: Not specified for this item; refer to SDS.
• Hazard statements (H-codes): Not specified for this item; refer to SDS.
• Pictograms: Not specified for this item; refer to SDS.

General handling guidance (professional practice)

• Personal protective equipment: Use lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Handle in a certified chemical fume hood when weighing, dissolving, or transferring powders/solutions.
• Exposure controls: Avoid inhalation of dust/aerosols and skin contact. Prevent environmental release—antibacterial agents may affect microbial communities in drains and biological waste systems.
• Incompatibilities: Without structural data, avoid strong oxidizers/reducers, strong acids/bases, and reactive acylation/alkylation conditions. Segregate from food and feed.
• First aid (overview): If inhaled—move to fresh air; seek medical advice. Skin/eye contact—rinse with water for ≥15 min; remove contaminated clothing. If ingested—rinse mouth; do not induce vomiting; obtain medical attention. Always follow the SDS.
• Spill response: Contain solid with inert absorbent, avoid dust formation, collect into sealed, labeled container for hazardous waste disposal.

Storage and transport

• Storage: Store at −20°C (per product data). Keep tightly closed, desiccated, and protected from light unless otherwise stated in CoA.
• Shipping: Cold chain—ice chest with ice pads (per product data).

Solvent Selection

Because the structure and polarity are not disclosed in this listing, initial solvent evaluation should follow standard screening practices.

General recommendations (literature/practice)

• Primary stock solvent: DMSO is the default choice for diverse small molecules due to broad solvency and assay compatibility at ≤1% v/v.
• Secondary options: DMF and NMP provide strong solvation but may be less desirable biologically; ethanol or isopropanol can work for moderately lipophilic compounds with improved biocompatibility.
• Aqueous use: If water solubility is required, consider co-solvent systems (e.g., 5–10% DMSO or ethanol in buffer) and filter sterilization (0.22 µm) where compatible.

Miscibility and polarity (general)

• DMSO: Fully miscible with water and most organics; high dielectric constant; stable in typical assay conditions.
• Ethanol: Miscible with water; lower solvency for highly lipophilic molecules but favorable toxicity profile.
• DMF/NMP: Excellent solvency; use with caution in cell-based contexts.

Quick comparison (general, non–item-specific)

• DMSO: Pros—broad solvency, stable; Cons—can affect membrane permeability and some enzymes at >1%.
• Ethanol: Pros—benign, easy to remove; Cons—limited for very nonpolar compounds.
• DMF/NMP: Pros—solubilize challenging APIs; Cons—cytotoxic concerns; difficult to remove from aqueous systems.

Always confirm solubility/stability for this item empirically and consult the CoA/SDS before large-scale preparations.

Storage and Reconstitution

Item-specific storage and shipping

• Storage conditions: Store at −20°C. (Product Data)
• Shipped in: Ice chest + ice pads. (Product Data)

Additional handling guidance (general best practices; not item-specific specifications)

• Protect from light and moisture unless the CoA indicates otherwise. Equilibrate to room temperature before opening to minimize condensation. Reseal promptly under dry atmosphere.
• If supplied as a solid: Prepare a concentrated master stock in an appropriate solvent (commonly DMSO for small molecules), then aliquot into single-use vials or plates to avoid repeated freeze–thaw events.
• If supplied as a solution: Verify solvent identity and concentration on the CoA. Store tightly sealed; avoid evaporative loss. Track freeze–thaw cycles and discard if precipitation or discoloration occurs.
• Working solutions: Prepare fresh on the day of use when possible. For multi-day studies, confirm stability by LC–MS/UPLC and store at recommended temperatures (e.g., 2–8°C for short-term aqueous solutions) only if stability is documented.
• Disposal: Treat as hazardous chemical waste per institutional and local regulations, avoiding release to drains due to antibacterial activity potential.

Reconstitution specifics (solvent, target concentration, filter sterilization): Not specified for this item; refer to CoA/Spec Sheet.

Structure and Identity

Concise identification summary for a cataloged small-molecule antibacterial research agent supplied for screening and discovery workflows.

• SKU: A1416554
• Product Name: Antibacterial agent 80
• CAS: 2902561-34-4
• Category: Small molecules & compound libraries (research use)
• Research Use: For research use only

Item-specific identifiers

• 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 features

• Functional groups, ring systems, and stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.
• 2D structure description: Not available for this item in the current listing.

Notes for users (general guidance)

• When structure and formula are not disclosed in the catalog entry, consult the product’s Certificate of Analysis (CoA), Specification Sheet, or SDS for definitive identity fields required for registration, assay documentation, or analytical method development.
• If you will perform mechanistic or SAR studies, request structural metadata and purity profile (e.g., LC–MS trace, NMR) from the CoA to ensure unambiguous tracking across screening campaigns. (General recommendation)

Synthetic Utility

This catalog item is offered as a finished small-molecule antibacterial research agent rather than a synthetic reagent or building block.

• Role in synthesis: Not typically used as a reagent, ligand, catalyst, or protecting group component. Without structural information, no reliable reactivity or transformation guidance can be provided.
• Derivatization: If structure becomes available, medicinal chemistry teams may consider analog synthesis for SAR; however, such efforts require full disclosure of functional groups, stability, and potential reactive handles. None are specified here.

Item-specific synthetic reactivity or named-reaction participation: Not specified for this item; refer to CoA/Spec Sheet.

Target Specificity

Target specificity information (protein target, pathway, or bacterial process) is not provided for this product.

• Item-specific target/epitope/clone/isotype: Not applicable—this is a small molecule, not an antibody or biological.
• For mechanism-of-action elucidation in research, consider unbiased approaches (e.g., resistance mapping, chemoproteomics, thermal proteome profiling) once the structure and analytical standards are available. These are general research strategies and not item-specific claims.