ANT3310 sodium - 10mM in DMSO , CAS No.2410688-61-6

CAS: 2410688-61-6 Cat. No.: A655994 Summenformel: C₆H₈FN₂NaO₅S Molekulargewicht: 262.19

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

ANT3310 sodium is a broad-spectrum covalent Serine β-Lactamase inhibitor, with IC 50 values ranging from 1 nM to 175 nM (a panel of Serine β-Lactamase). ANT3310 sodium potentiates activity of β-lactam antibiotics against Carbapenem-Resistant Enterobacterales (CRE) and Acinetobacter baumannii (CRAB). ANT3310 sodium can be used in the research of bacterial infection.

In Vitro

ANT3310 sodium (Compound 21, 0.006 to 3 000 nM, 10 min) inhibits a series of Serine β-Lactamase (AmpC, CTX-M-15, TEM-1, OXA-48, OXA-23, and KPC-2), with IC <>50 values ranging from 1 nM to 175 nM. ANT3310 sodium shows a low in vitro cytotoxicity (IC <>50 : > 100 μM) in HepG2 cell, cardiotoxicity (inhibition of the hERG potassium ion channel), and genotoxicity (Ames test). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

ANT3310 sodium (intravenous injection, 25-100 mg/kg, at 1, 3, 5, and 7 h postinfection) reduces bacterial burdens in murine thigh infection model . ANT3310 sodium (intravenous injection, 1 mg/kg, Male Swiss albino mice) shows a T 1/2 value of 0.64 h, AUC value of 412 ng•h/mL, and Cl value of 40 mL/min/kg (pharmacokinetic assay) . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Murine thigh infection model Dosage: 25, 50, and 100 mg/kg Administration: Intravenous injection, at 1, 3, 5, and 7 h postinfection Result: Reduced bacterial burdens (colony forming units, CFU) in a dose-dependent manner to levels below that of the initial starting inoculum at the highest dose, when treated with the combination of MEM.

Specifications

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

ANT3310 sodium is a broad-spectrum covalent Serine β-Lactamase inhibitor, with IC 50 values ranging from 1 nM to 175 nM (a panel of Serine β-Lactamase). ANT3310 sodium potentiates activity of β-lactam antibiotics against Carbapenem-Resistant Enterobactera

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

Molekulargewicht

262.19

Application Protocols

No item-specific protocols are provided in the Product Data.

General handling protocol for screening compounds (not item-specific)

• Receipt and storage: Upon arrival (dry ice + cold packs), verify packaging integrity. Immediately transfer to −80°C storage as specified.
• Equilibration: Before opening, allow the vial to equilibrate in a desiccator or dry box to minimize condensation.
• Stock preparation: Prepare fresh stock solutions (e.g., 10–50 mM) in DMSO or another validated solvent. Record exact concentration by weight and, if needed, by qNMR/UV for confirmation.
• Aliquoting: Dispense into single-use aliquots (e.g., 10–50 µL) to avoid repeated freeze–thaw. Store sealed under inert gas if stability is a concern.
• Assay use: Dilute stocks into assay buffer to the working concentration, keeping co-solvent content within assay tolerances. Include vehicle controls and, where relevant, detergent controls to mitigate aggregation.
• Documentation: Record lot number, preparation date, solvent, and concentration. Attach the CoA to experimental records.

Biological Roles

Item-specific biological information

• No target, pathway, or mechanistic data are provided for ANT3310 sodium in the Product Data.

General notes (not item-specific)

• Small-molecule library members can engage diverse biological targets (enzymes, receptors, transporters). Definitive biological roles require annotated structure, target profiling, or phenotypic screening data.
• If the compound is ionizable (supplied as a sodium salt), its apparent potency and permeability may vary with assay pH and ionic strength. Consider parallel testing across relevant buffer conditions.
• For cell-based studies, assess cytotoxicity, off-target reactivity (e.g., PAINS motifs), and potential assay interference (intrinsic fluorescence/absorbance, redox cycling). Employ counter-screens and orthogonal assays.

Note: All uses are for research purposes only. No clinical or diagnostic applications are implied or supported.

Buffer Applications

Not typically applicable.

• ANT3310 sodium is a small-molecule research compound rather than a buffering reagent. Without structural information or pKa data, buffer preparation guidance cannot be provided for this item.
• For dissolution into assay buffers, select a buffer system compatible with your biological target (e.g., phosphate, HEPES, Tris) and verify compound solubility and stability across the working pH range.
• If precipitation is observed, modest co-solvent (e.g., ≤1% DMSO or MeOH) or pH adjustment may help, subject to assay constraints.

Green Alternatives

Context

• Specific green chemistry considerations for ANT3310 sodium cannot be assigned without structural information. The following are general guidelines for handling small-molecule sodium salts and choosing greener workflows.

Greener choices (general, not item-specific)

• Solvents: Prefer water, ethanol, and isopropanol when feasible. If an aprotic polar solvent is required, consider propylene carbonate or ethyl lactate as greener alternatives in some analytical or preparative contexts versus DMF/DMF-like solvents, with due validation.
• Minimize DMSO load in assays by preparing higher-concentration stocks and diluting into aqueous buffers to ≤0.1–0.5% DMSO, provided solubility and stability permit.
• Scale: Right-size reactions/assays to reduce solvent and energy use. Employ microscale formats for screening.
• Energy: Store and ship at the lowest validated energy footprint consistent with product stability. Consolidate shipments on common dry ice consignments when practicable.

Trade-offs

• Greener solvents may alter solubility, stability, or assay performance. Always perform small-scale compatibility checks, and document any impact on signal windows, baseline noise, and recovery.

Waste considerations

• Segregate halogenated from non-halogenated waste. Favor aqueous workups when possible. Use volatile, low-toxicity mobile phases for LC methods to facilitate abatement.

Pharmaceutical Uses

Not applicable to finished drug products.

• This product is supplied strictly for research use only, per Product Data. No excipient role, pharmacopeial status, or GMP applicability is provided.
• If formulation-like studies are needed in a research context (e.g., solubility screening, salt screening, polymorph assessment), obtain the full structure and quality dossier (CoA/Spec Sheet) and conduct appropriate preformulation characterization (DSC/TGA, XRPD, Karl Fischer, pH–solubility profile).

Physical Properties

Item-specific physical data

• 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 applicable for ionic solids; for decomposition/onset data see CoA/Spec Sheet (item-specific data not provided).
• 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.
• Refractive index: Not applicable for solids; Not specified for this item; refer to CoA/Spec Sheet.

General/literature guidance for sodium salts (not item-specific)

• Many organic sodium salts exhibit enhanced aqueous or polar aprotic solvent solubility (e.g., water, DMSO, DMF) relative to their neutral acid/base forms, though actual solubility is structure-dependent.
• Hygroscopicity can vary; some sodium salts absorb moisture or CO2 from air. Work quickly under dry conditions when accurate weighing is required (literature/general practice).
• Ionization state and counterion influence crystallinity, melting behavior, and thermal stability; differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) are commonly used to characterize such properties in screening collections (literature/general practice).

Quality and Grades

Item-specific quality attributes

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

General guidance on library compound quality (not item-specific)

• Library/HTS-grade small molecules are typically provided with identity confirmation (e.g., LC–MS, high-resolution MS, and/or 1H NMR) and an assay of purity by HPLC/UPLC. Verify the identity and purity thresholds in the CoA.
• If UV cutoff or HPLC background absorbance is critical for analytical methods, consult the CoA/Spec Sheet. Absent explicit low-UV claims, validate compatibility with your detection wavelength.
• Residual solvents, water content (e.g., by Karl Fischer), and inorganic content (e.g., sodium content by elemental analysis/ICP) may be reported in the CoA. If not, perform in-house QC as required by your application.
• Salts and counterions: The sodium salt form can improve handling and solubility consistency; however, note that reported purity often excludes counterion mass. When preparing equimolar solutions, use the salt’s formula weight from the CoA.
• Stability: Follow provided storage conditions strictly (this item: store at −80°C). For working aliquots, consider sub-aliquoting to minimize freeze–thaw cycles and moisture exposure.

Reaction and Applications

Manufacturer-stated applications

• The Product Data provides no specific application notes. Use case will depend on the disclosed structure/function in the accompanying CoA or library annotation.

General research uses for sodium salt small molecules (not item-specific)

• Chemical biology and screening: Suitable for primary/secondary screening, MOA hypothesis generation, and SAR expansion when matched with structural information.
• Tool compound development: The sodium salt form can simplify weighing and dissolution for in vitro assays, biophysical profiling (e.g., SPR, DSF), and enzymology, provided the compound’s activity and aggregation behavior are validated.
• Analytical reference: Can serve as a reference standard for method development (LC–UV/LC–MS) once identity/purity are confirmed.

Practical tips (general)

• Prepare fresh stocks immediately before use to minimize hydrolysis or oxidation risks (unknown stability). Filter sterilize only if compatible; avoid adsorption losses on membranes by using low-binding filters (PTFE/nylon depending on solvent).
• For assay interference mitigation, check for intrinsic fluorescence/absorbance, redox activity, and colloidal aggregation (detergent controls; DLS or AIDA assays).

Reaction Conditions

Not enough item-specific information is available to recommend defined reaction conditions.

General guidance (not item-specific)

• If employing the sodium salt as a reagent or nucleophile, select solvents that solvate ionic species (e.g., DMSO, DMF, NMP, water/organic mixtures) and consider phase-transfer catalysis for biphasic systems.
• Catalyst and temperature choices are highly dependent on functional groups; for decarboxylative couplings or C–O activation chemistry, consult literature precedents for the specific scaffold once known.
• For analytical handling, LC–MS mobile phases with volatile buffers (ammonium formate/acetate) at pH 3–7 are broadly compatible; confirm ionization and stability by direct infusion and short scouting gradients.

All conditions should be validated once the compound’s structure and reactivity profile are confirmed from the CoA/Spec Sheet.

Safety and Handling

GHS and hazard information (item-specific)

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

General laboratory precautions (not item-specific; follow SDS)

• Use suitable PPE: lab coat, safety glasses, and appropriate chemically resistant gloves. Handle powders in a fume hood to minimize inhalation exposure.
• Avoid dust generation and aerosolization. Use clean, dry tools and anti-static precautions when handling microgram–milligram quantities typical for screening compounds.
• Incompatibilities: Specific incompatibilities are structure-dependent; as a conservative approach, keep away from strong oxidizers/acids until compatibility is known. Do not mix with unknown reagents.
• First aid (overview; defer to SDS): If inhaled, move to fresh air; if on skin, wash with soap and water; if in eyes, rinse cautiously with water for several minutes; if ingested, seek medical advice. Provide the SDS to medical personnel.
• Spill response: Avoid raising dust; contain and collect with inert absorbent. Dispose in accordance with local regulations.
• Thermal considerations: Unknown decomposition profile. Avoid heating above recommended limits; do not autoclave unless validated safe in SDS/CoA notes.

Always consult the current Aladdin SDS for authoritative hazard, exposure limits, and emergency procedures for ANT3310 sodium.

Solvent Selection

Item-specific solvent guidance

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

General solvent strategy for sodium salts and screening compounds (literature/practice)

• Stock solutions: DMSO is commonly used for 10–50 mM stocks in screening libraries. If water solubility is sufficient, prepare aqueous stocks (often with co-solvent such as ≤10% DMSO) to reduce DMSO content in assays.
• Polar protic/aprotic options: Water, ethanol, methanol, DMF, and acetonitrile are typical choices. Actual compatibility depends on the compound’s functional groups and stability.
• pH considerations: For acid-derived sodium salts (carboxylates, sulfonates), aqueous solubility often increases at neutral–basic pH; for phenolates, pH sensitivity may be higher. Validate pH stability experimentally.
• Moisture/CO2: Some sodium salts can exchange CO2 or water from air, affecting apparent solubility and pH. Use freshly opened or desiccated material.

When to choose alternatives

• If precipitation occurs in aqueous media, consider mildly basic buffers (e.g., Tris or phosphate) or a small percentage of DMSO/MeOH as co-solvent, ensuring assay compatibility.
• For LC–MS analyses, acetonitrile/water with volatile buffers (ammonium formate/acetate) is preferred. Avoid nonvolatile salts that can suppress ionization.

Storage and Reconstitution

Item-specific instructions (from Product Data)

• Storage conditions: Store at −80°C.
• Shipped in: Dry ice packs + Cold packs.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.

General best practices (not item-specific)

• Upon receipt, keep the product frozen. Avoid temperature cycling; prolonged exposure to ambient conditions may lead to degradation or moisture uptake, particularly for sodium salts.
• For reconstitution, use an anhydrous, compatible solvent (commonly DMSO for screening compounds) or water/buffer if solubility and stability allow. Filter through a low-binding syringe filter only if necessary and compatible.
• Aliquot into inert, airtight containers (e.g., screw-cap vials with PTFE-lined septa). Consider inert gas backfill (argon or nitrogen) to limit oxidative/hydrolytic pathways.
• Freeze–thaw guidance: Minimize cycles by preparing single-use aliquots. Thaw at room temperature in a desiccated environment and promptly return unused materials to −80°C.
• Stability limits after reconstitution are structure- and solvent-dependent; absent explicit stability data, prepare solutions fresh and use within the same day. For longer-term solution storage, perform a short stability study (e.g., LC–MS at 0/24/72 h at intended temperature).

Research use only: Not for human or veterinary use.

Structure and Identity

Brief overview: This listing corresponds to a small-molecule library compound supplied as a sodium salt. Detailed structural identifiers are not provided in the Product Data.

• SKU: A655994
• Product Name: ANT3310 sodium
• CAS: 2410688-61-6
• Category: Small molecules and compound libraries (research use)

Item-specific identifiers (from Product Data)

• 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 (general notes, not item-specific)

• Sodium salts typically indicate the presence of an anionic functionality (e.g., carboxylate, phenolate, sulfonate) paired with Na+ (literature/general chemistry).
• As a “library” compound, ANT3310 sodium is intended for screening and chemical biology workflows; precise ring systems, stereochemistry, and functional groups should be confirmed from the item’s CoA, structure file (SDF), or Spec Sheet.

2D structure description (general guidance)

• Without a supplied structure, no definitive 2D description can be given. Obtain the vendor SDF/MOL file or SMILES for depiction, to identify heteroatoms, ring topology, and ionization state (literature/general practice).

Synthetic Utility

Limited applicability based on available data.

• Without structural information, specific transformations or named-reaction roles cannot be assigned to ANT3310 sodium.

General considerations for sodium salts in synthesis (literature/practice; not item-specific)

• Sodium carboxylates/phenolates/sulfonates can serve as nucleophiles or coupling partners when converted to suitable reactive species (e.g., acid chlorides, mixed anhydrides), or in decarboxylative/cross-coupling contexts with appropriate catalysts.
• Counterion effects: Changing the counterion (Na+, K+, tetrabutylammonium) can modulate reactivity and solubility in organic media.
• If the compound is intended solely as a screening tool, synthetic elaboration may be limited; instead, use it as a reference for SAR guidance and prepare analogs from the disclosed core scaffold rather than from the salt directly.

Target Specificity

Not applicable.

• This product is a small-molecule compound, not an antibody or affinity reagent. No antigen/epitope, clone, isotype, or species reactivity information applies.
• If target data become available (e.g., enzyme class, receptor subtype), include it in assay design documentation and reference the relevant lot-specific CoA.