Antibacterial agent 237 , CAS No.A1416237

CAS: A1416237 Cat. No.: A1416237 분자식: C₆₅H₆₉Cl₃N₁₀RuS₂ 분자량: 1261.87

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Antibacterial agent 237 (compound Ru-8) is a bacteriostatic agent for Staphylococcus aureus , with MIC of 0.78-1.56 μg/mL. Antibacterial agent 237 destroys bacterial cell membranes, changes their permeability, and induces bacteria to produce Reactive Oxygen Species , leading to bacterial death without causing drug resistance. Antibacterial agent 237 has low hemolytic toxicity to rabbit red blood cells and Raw 264.7 cells, and has significant antibacterial effects against Staphylococcus aureus in mouse skin wound infection models and Bacillus major larvae infection models.

Specifications

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

이름과 식별자

• 분자량: 1261.87

Application Protocols

No tested applications, validated protocols, or recommended dilutions are provided in the Product Data for this item.

• For guidance, consult institutional SOPs for antibacterial screening and refer to standard references (e.g., CLSI methods) to design appropriate assays. Any protocol must be validated in-house with this specific material.

All application parameters should be established empirically by the end user.

Biological Roles

No biological mechanism or target information is provided for this specific item. The following notes describe general antibacterial modes of action to aid hypothesis generation in discovery research; they are not claims about this compound.

Common antibacterial target classes (general knowledge):

• Cell wall biosynthesis: Inhibitors of transpeptidases/transglycosylases or lipid II cycle enzymes.
• Protein synthesis: Ribosomal A- and P-site binders; tRNA synthetase inhibitors.
• DNA processes: DNA gyrase/topoisomerase IV, DNA-dependent RNA polymerase.
• Metabolic pathways: Folate biosynthesis, isoprenoid pathways, fatty acid synthesis.
• Membrane integrity/energetics: Disruptors of membrane potential or permeability.

Discovery considerations:

• Establish selectivity windows by screening against representative Gram-positive and Gram-negative panels; include efflux/porin-deficient strains to probe penetration.
• Run counterscreens (eukaryotic cell viability; detergent sensitivity; redox-cycling detection) to flag PAINS-like behavior.
• Perform time-kill kinetics and post-antibiotic effect studies once initial activity is confirmed.

Important disclaimer:

• This product is for research use only. No therapeutic, diagnostic, or clinical claims are made or implied. Any biological roles for this specific item must be determined experimentally by the user.

Buffer Applications

This compound is not a buffer reagent, and no acid/base parameters are provided.

• Buffer formulation is not typically applicable to this item. If using in aqueous assays, introduce the compound from an organic stock (e.g., DMSO) into a pre-selected biological buffer system compatible with your target (e.g., PBS, MHB for bacterial growth assays, HEPES-buffered media).
• Confirm that the final co-solvent level and any surfactants do not perturb pH, ionic strength, or assay readout.

For buffer selection, focus on the biology of your assay rather than the compound itself.

Green Alternatives

For reconstitution and handling of small-molecule screening compounds, greener solvent strategies can reduce environmental impact while maintaining assay performance. The guidance below is general and not item-specific.

Comparison of common vs greener options (general):

• Conventional: DMSO
  • Pros: exceptional solvency, HTS-compatible at low %.
  • Considerations: high COD in waste streams; potential biological effects >1% v/v.
• Greener alternatives: 2‑MeTHF, CPME, Cyrene, dimethyl isosorbide (DMI), PEG‑400 (co-solvent)
  • Pros: improved EHS profiles and/or biorenewable sourcing (Cyrene, DMI).
  • Considerations: variable solubility spectrum; may require co‑solvent systems; can impact assay optics/viscosity.

Practical strategies:

• Stock in DMSO; deliver in aqueous buffer minimizing final DMSO (≤0.1–0.5% v/v) to shrink solvent burden.
• Co-solvent systems (e.g., 90–95% aqueous buffer + 5–10% greener organic) where assay tolerates.
• Use micro-dosing (acoustic dispensing or pin tools) to reduce total solvent volumes.
• Implement solvent recovery where feasible and segregate waste streams for optimized disposal.

Trade-offs:

• Greener solvents may not match DMSO’s universality; feasibility must be verified experimentally for each compound and assay.

Document solvent choices in your method file and qualify them with control experiments to ensure no loss of assay sensitivity or specificity.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation use is provided for this item. It is supplied strictly for research use only.

• Regulatory/compendial status: Not specified for this item; refer to CoA/Spec Sheet.
• Formulation role: Not established. This product is a discovery-stage research compound, not an approved excipient or drug substance.

Research-only considerations:

• If formulation-like studies are performed (e.g., solubility, stability), they should be considered preclinical research and not for human or veterinary use.
• Any prototype dosage forms created for research should follow institutional EHS and containment policies and must not be used in vivo without appropriate approvals.

No clinical or therapeutic claims are made or implied.

Physical Properties

Item-specific physicochemical data were not provided. Do not treat the following as specifications; consult the CoA/Spec Sheet for authoritative values.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point / 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. (General practice for library compounds: prepare concentrated stocks in anhydrous DMSO; see Solvent Selection.)
• LogP / pKa / Refractive index: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for undivulged small molecules (literature/practice):

• Many screening compounds are shipped as dry solids or films and reconstituted in DMSO (anhydrous) to 10–50 mM for plate-based assays.
• If aqueous use is required, gradual dilution of a DMSO stock into buffer with surfactant (e.g., 0.01–0.05% nonionic) can help maintain apparent solubility; verify compatibility with your assay readout.
• Confirm solution stability (time, temperature, light sensitivity) by LC–MS/HPLC prior to long experiments.

Note: Where precise numbers are necessary for method validation, request the latest CoA/SDS for the exact batch.

Quality and Grades

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

Interpretation and expectations for library compounds (general guidance):

• Discovery/screening compounds are typically provided with identity and purity confirmation (e.g., LC–MS and/or 1H NMR). Verify actual test methods and acceptance criteria on the CoA.
• If UV-based assays or chromatography are planned, request UV–Vis profile or HPLC trace to assess baseline noise and potential absorbers.
• Where applicable, note any stabilizers, counterions, or residual solvents on the CoA; these can affect bioassays and mass balance.
• If chiral, confirm enantiomeric ratio or absolute configuration. If salt form, confirm stoichiometry and counterion.

What “grade” implies (context):

• Unlike “HPLC grade solvents” or “AR/ACS grade reagents,” screening compounds generally do not map to a single standardized grade. Fitness-for-purpose rests on documented identity, purity, and stability for research use.

Recommendations:

• Request and archive the lot-specific CoA and SDS for traceability.
• If your application demands higher purity (e.g., >98% by HPLC), plan for in‑house purification or specify requirements when ordering.
• Pre-screen by LC–MS after reconstitution to confirm integrity and absence of early-degrading impurities.

Reaction and Applications

This product is supplied as a research compound for antibacterial screening and related discovery biology, not as a general synthetic reagent. Item-specific reactivity data are unavailable.

Applicable research uses (general, non-clinical):

• In vitro assay development: Use as a test article in antibacterial growth inhibition assays (broth microdilution, agar diffusion) or target-based enzyme assays, subject to local biosafety and assay SOPs.
• Mechanistic exploration: If activity is observed, conduct orthogonal counterscreens (eukaryotic cytotoxicity, detergent sensitivity, redox interference) to deconvolute artifacts.
• ADME profiling (discovery phase): Solubility, stability (chemical/metabolic), and permeability assessments to contextualize any antibacterial signal.

Practical tips:

• Prepare fresh DMSO stocks (e.g., 10–50 mM) under dry conditions. Aliquot to avoid freeze–thaw.
• Verify identity and purity by LC–MS/HPLC prior to biology. Track potential hydrolysis/oxidation by stress testing (light, pH, temperature) as appropriate.
• Incorporate controls: growth controls, vehicle controls, and reference antibacterials to benchmark assay sensitivity and dynamic range.

Not applicable here:

• Named organic reactions or reagent roles cannot be provided without structural information. If synthetic derivatization is intended, obtain full structural disclosure and consult standard reaction playbooks appropriate to the functional groups present.

Reaction Conditions

Item-specific reaction conditions are not applicable because no structure or reagent role is provided. This product is intended for biological screening rather than use as a chemical reagent.

General advice (if used in discovery biology workflows):

• Maintain compound integrity by minimizing exposure to heat, moisture, and light during reconstitution and assay setup.
• Use freshly prepared stocks in anhydrous DMSO and limit time at room temperature if stability is uncertain.
• Validate any observed biological effects across a range of vehicle concentrations to exclude solvent artifacts.

For chemical synthesis or transformations, obtain the compound’s structural information first; only then can reaction conditions be rationally selected.

Safety and Handling

Hazard details for this specific item were not provided. Always consult the official SDS for definitive information.

• GHS Classification / Pictograms / H-Statements / Signal Word: Not specified for this item; refer to SDS.
• Primary Storage: Store at −20°C (per Product Data). Keep container tightly closed, desiccated, and protected from light unless otherwise stated on the label/CoA.
• Shipping Condition: Shipped in ice chest with ice pads; minimize time at ambient temperature upon receipt.
• General PPE: Lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Handle in a fume hood when making stock solutions or weighing powders.
• Good practice for unknown toxicity:
  • Avoid inhalation of dust/aerosols and skin/eye contact.
  • Prevent environmental release; collect waste in halogenated/non‑halogenated organic waste as appropriate.
  • Decontaminate benches and tools after use.
• Incompatibilities (general): Until structure is known, avoid strong oxidizers/reductants, strong acids/bases, and sources of ignition. Separate from foodstuffs and incompatible reagents.
• First aid (overview; defer to SDS):
  • Skin/eye contact: Rinse with water for ≥15 min; remove contaminated clothing; seek medical attention.
  • Inhalation: Move to fresh air; seek medical attention if symptoms occur.
  • Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.

Always defer to the batch-specific SDS for authoritative hazard and response guidance.

Solvent Selection

With structure and solubility unspecified, select solvents using a tiered, assay-compatible approach. The following are general, literature/practice-based guidelines for small-molecule screening compounds; they are not item-specific specifications.

• First-line stock solvent:
  • Anhydrous DMSO is the default for discovery libraries owing to broad solvating power and assay compatibility at low final %v/v.
• Secondary organic options (if DMSO-limited by assay):
  • DMF, ethanol (absolute), isopropanol. Verify toxicity and signal interference in your readout.
• Aqueous delivery:
  • Prepare a concentrated DMSO stock; dilute into buffer slowly with mixing to keep final DMSO ≤0.1–1% v/v as your biology permits. Consider surfactants (e.g., 0.01–0.05% Tween-20 or Pluronic F‑127) to mitigate precipitation.
• Solubility screening panel:
  • Try DMSO, DMF, MeCN, ethanol, CPME/2‑MeTHF (if hydrophobic), and buffered saline with co-solvent. Assess clarity and stability over 24–48 h at room temperature and 4°C.
• Water miscibility & polarity: Not specified for this item; confirm experimentally.

Small comparison (general):

• DMSO: broad solubility, common in HTS; potential to affect membranes/enzymes at >1%.
• Ethanol: volatile, biocompatible at low %, narrower solubility window.
• DMF: strong polar aprotic, but more toxic; use sparingly.

Always confirm solvent effects on your assay controls and signal window.

Storage and Reconstitution

• Storage (as supplied): Store at −20°C (per Product Data). Keep tightly capped in a dry, inert environment. Protect from excessive light and humidity. Do not store in the door of freezers; avoid temperature cycling.
• Shipping: Shipped cold (ice chest + ice pads). Upon receipt, inspect packaging, then return promptly to −20°C.
• Stability: Not specified for this item; refer to CoA/Spec Sheet. Until known, assume limited stability at ambient conditions and in aqueous media.

Reconstitution (general best practices for small-molecule library compounds):

• Allow vial to equilibrate to room temperature in a desiccator before opening to prevent moisture condensation.
• Prepare concentrated stocks in anhydrous DMSO (e.g., 10–50 mM), filtering through a 0.2 µm PTFE syringe filter if particulate is observed.
• Aliquot single‑use portions to minimize freeze–thaw; store aliquots at −20°C or below. Record preparation date and concentration on each aliquot.
• For aqueous assays, dilute DMSO stocks into pre-warmed buffer with vigorous mixing to minimize precipitation; keep final DMSO as low as your assay allows.
• Verify post-dilution clarity and check integrity by LC–MS/HPLC at first use and periodically thereafter.

Disposal: Collect unused solutions and rinsates in appropriate organic waste streams per institutional and local regulations.

Structure and Identity

Concise, item-specific identity details are not disclosed for this screening compound. It is listed as a small-molecule research reagent in a compound library.

• Product Name: Antibacterial agent 237 (screening compound)
• SKU: A1416237
• CAS: A1416237 (catalog/reference 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.
• CID: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general notes):

• Item-specific functional groups, ring systems, and stereochemistry are not provided in the Product Data and should be confirmed from the CoA/SDS.
• Category placement indicates a small-molecule/compound library entry suitable for antibacterial screening workflows in discovery research.

2D/functional description (general):

• Without a disclosed structure, no definitive 2D description can be given. Users should rely on the certificate of analysis (CoA) for structure confirmation (e.g., LC–MS/NMR) prior to use in assays.

Provenance and identifiers:

• Where critical identifiers are missing, treat the SKU as the primary reference and maintain batch/lot traceability via CoA and SDS.

Synthetic Utility

Synthetic applications cannot be assigned without a disclosed structure.

• Functional group reactivity: Not specified for this item; refer to CoA/Spec Sheet.
• Named reactions / derivatization: Not applicable without structural information. If analog synthesis or SAR is desired, obtain structural disclosure and use standard synthetic methodology tailored to the functional groups (e.g., amide couplings, cross-couplings, heterocycle functionalizations) as relevant.

Practical note:

• Treat this material as a test article rather than a building block. If you intend to prepare derivatives, consider de novo synthesis of the parent scaffold to ensure full intellectual property clarity and enable route optimization, impurity control, and unambiguous characterization.

Target Specificity

No target, pathway, or organism specificity is provided in the Product Data for this item.

• Target name/class: Not specified for this item; refer to CoA/Spec Sheet.
• Organism/strain scope: Not specified for this item; refer to CoA/Spec Sheet.

Users should determine any target engagement or spectrum of activity experimentally using validated assays and controls.

자주 묻는 질문

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 A1416237, the molecular formula is C65H69Cl3N10RuS2, and the molecular weight is 1261.87 g/mol.