ATN-224 - Moligand™, 10 mM in DMSO , CAS No.649749-10-0

CAS: 649749-10-0 Cat. No.: A1498420 Formula: C₁₀H₃₀MoN₂O₂S₄ Peso molecolare: 434.6 PubChem CID: 18442052

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

ATN-224 is an oral Cu 2+ /Zn 2+ -superoxide dismutase 1 ( SOD1 ) inhibitor. ATN-224 inhibits SOD1 activity in endothelial cells, an effect that is dose dependent with an IC 50 of 17.5±3.7 nM.

Specifications

Specifiche e purezza

Moligand™, 10 mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Nomi e identificatori

• Isomeri SMILES: C[N+](C)(C)CCO.C[N+](C)(C)CCO.[SH-].[SH-].S=[Mo]=S
• CAS alternativo: 649749-10-0
• PubChem CID: 18442052
• Termini MeSH: ammonium tetrathiomolybdate;ATN-224;tetrathiomolybdate;tetrathiomolybdate bis-choline salt;tetrathiomolybdate, dipotassium salt;tetrathiomolybdate, disodium salt;thiomolybdate;TTM cpd
• Peso molecolare: 434.6

Application Protocols

No validated, item-specific application protocols or tested methods are provided in the Product Data for this SKU.

Guidance:

• Refer to peer-reviewed literature for protocol details relevant to your biological model or assay type.
• Verify solvent, concentration, and exposure time empirically in pilot studies, and document all conditions alongside batch/lot numbers for reproducibility.

For any available internal methods or CoA-linked recommendations, please contact Aladdin Technical Support and provide the SKU (A1498420) and lot number.

Biological Roles

Research context (literature; research-use only):

• Copper sequestration: ATN-224 is widely used to reduce bioavailable copper in cultured cells or biochemical assays, allowing interrogation of copper-dependent pathways.
• Metalloenzyme studies: By limiting copper availability, investigators assess the contribution of enzymes such as copper–zinc superoxide dismutase (SOD1) and lysyl oxidases to redox balance and extracellular matrix crosslinking, respectively.
• Signaling and metabolism: Copper status influences oxidative stress responses, mitochondrial function, and transcriptional programs (e.g., via copper-responsive transcription factors). ATN-224 provides a tool to modulate these axes experimentally.
• Trace metal interactome: Copper chelation can indirectly alter iron, zinc, and sulfur metabolism; parallel measurement (ICP-MS or metalloproteomics) is recommended to resolve system-wide effects.

Good practices:

• Include copper add-back or alternative chelator controls to validate that observed effects stem from copper limitation.
• Monitor cell health and general trace metal levels to avoid confounding toxicity or off-target metal depletion.

Important note:

• No medical, diagnostic, or therapeutic use is intended or implied. All statements refer to in vitro/in vivo research models and biochemical systems only.

Buffer Applications

ATN-224 is not a buffering agent; dedicated buffer systems should be used to control pH. However, preparation in buffered media is routine for biological experiments.

• Suitable vehicles (general practice):
  • PBS, HEPES, Tris buffers at near-neutral pH (6.5–8.0) to maintain stability and minimize acid-promoted decomposition.
  • Cell culture media (e.g., DMEM, RPMI) for dosing studies; pre-dissolve in water or DMSO before spiking into media to target concentration.
• Metal contamination control:
  • Use high-purity water (18 MΩ·cm) and certified low-metal reagents. Pre-treat glassware as needed and rinse thoroughly to neutral pH.
• Filtration/sterility:
  • If sterile solutions are required, filter through 0.22 μm PES/RC filters. Avoid strong acid sterilization.

Item-specific buffer capacity, pKa, or ionic strength contributions: Not applicable.

Always confirm compatibility with assay components (proteins, dyes, cofactors) and avoid buffers containing high concentrations of competing thiols that could alter copper-binding equilibria.

Green Alternatives

ATN-224 functions as a specialized metal-binding tool; the concept of a direct “green solvent” or “green reagent” replacement is not directly applicable. However, when the objective is copper chelation or copper activity masking, alternatives may offer different environmental, safety, or handling profiles.

Comparison (literature-based, general):

| Option | Type | Aqueous compatibility | Selectivity notes | Pros | Cons | |---|---|---|---|---|---| | ATN-224 (thiomolybdate salt) | Inorganic–organic salt | High | Binds Cu strongly; can engage other soft metals | Potent Cu sequestration; effective in biological media | Contains Mo/S; potential decomposition under strong acid; specialized handling | | Ammonium tetrathiomolybdate (TTM) | Inorganic salt | High | Similar to ATN-224 | Readily available; well-studied | Inorganic counterion; similar hazard/handling profile | | Bathocuproine disulfonate (BCS) | Organic chelator | Very high | Selective for Cu(I) with UV–vis readout | Spectrophotometric assays; no Mo | Different oxidation-state preference; photophysics may interfere | | EDTA/EGTA | Polyaminocarboxylates | Very high | Broad-spectrum chelation (low selectivity for Cu) | Benign handling; robust | Poor copper selectivity; may strip many metal cofactors |

Guidance:

• Choose based on required copper oxidation state, readout modality (spectral vs functional), and interference tolerance in your biological system.
• For greener workflows, prefer water as solvent, minimize DMSO, and use minimal effective dose of chelator verified by controls.

Pharmaceutical Uses

Formulation and processing context (non-clinical; for research use only):

• ATN-224 is handled as a small-molecule research tool. No pharmacopeial monograph or excipient designation is provided in the Product Data.

• Potential formulation approaches for research materials (literature-based):

  • Aqueous solutions at neutral pH for short-term dosing in models; verify stability over the intended window.
  • DMSO stock solutions for precise dosing; dilute into buffered media immediately before use to keep final DMSO ≤0.1–0.5% v/v in cell systems, as tolerated.
  • Lyophilization from aqueous media may be used for aliquoting long-term research stocks; confirm that counterion composition remains constant.

• Manufacturing/CMC notes (research scale):

  • Control of trace metals is critical; implement ICP-based release criteria when results are sensitive to baseline copper content.
  • Moisture and acid exposure should be minimized during processing and packaging.

No claims are made or implied regarding therapeutic application, safety, or efficacy. This product is labeled: For research use only.

Physical Properties

Item-specific physicochemical specifications are not provided in the Product Data for this SKU.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point / decomposition: Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point: Not applicable to this class of ionic solids (literature: thiometallates typically decompose before boiling).
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP, pKa, refractive index: Not applicable/Not specified for this ionic, inorganic-organic salt; refer to CoA/Spec Sheet.

General literature guidance (for context only; not item specification):

• Many thiomolybdate salts (including choline tetrathiomolybdate) are highly polar and show good water solubility; limited solubility in nonpolar organic solvents is typical. DMSO or water are the most common stock solvents in research workflows.
• Thermal behavior often shows decomposition on heating rather than a sharp melt, with potential release of sulfur-containing volatiles under harsh conditions.
• Hygroscopicity can vary by counterion; store in tightly closed containers under desiccation to limit moisture pickup.

Practical notes:

• Prepare fresh aqueous or DMSO stock solutions under clean, non-acidic conditions. Avoid strong acids to minimize any sulfide release chemistry.

Quality and Grades

• Grade/Purity: Moligand™ (as listed in Product Data).

What Moligand™ signifies (program-level description):

• Moligand™ denotes inclusion in Aladdin’s curated collection of metal-binding ligands/complexes intended for research into metal homeostasis, metalloenzyme function, and metal-mediated biology. Materials in this series are selected for relevance to coordination to biologically important metals (e.g., Cu, Fe, Zn) and for compatibility with common biochemical assay formats.

Item-specific quality details:

• Assay purity, counterion ratio, residual metals, water/peroxide ppm, UV cutoffs: Not specified for this item; refer to CoA/Spec Sheet.
• Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet.

Implications for use:

• For quantitative biology or analytical studies, verify identity and purity with the provided CoA, and consider supplementary QC (e.g., elemental analysis/ICP-MS for Mo/Cu/S, ion chromatography for counterions) when trace-metal baselines are critical.
• If using in low-UV analytical workflows, confirm UV background from the CoA or perform a quick blank scan of the chosen solvent system.

Documentation:

• Batch-specific CoA and SDS are available upon request. Contact Aladdin Technical Support with your SKU and lot number for traceable documents.

Reaction and Applications

This compound is primarily used as a research tool in chemical biology and metallomics rather than as a classical synthetic reagent.

Applications (literature, research-use context):

• Copper homeostasis studies: Sequestration of Cu(I/II) in cell culture or biochemical systems to examine copper-dependent processes.
• Metalloenzyme modulation: Functional inhibition of copper-dependent enzymes (e.g., SOD1, lysyl oxidase family) to probe pathways and phenotypes in vitro.
• Spectroscopic controls: Establishing copper-free baselines in EPR, UV–vis, or activity assays.
• Metal competition experiments: Titrations against Cu with subsequent readout via colorimetric chelators (e.g., BCS/BCA) or ICP-MS to quantify free vs bound copper.

Not typically used for:

• Cross-coupling, organometallic catalysis, or nucleophilic substitutions. The strong copper-binding behavior can actually quench copper catalysts and is therefore generally avoided in synthesis.

Practical considerations:

• Work under clean, neutral conditions; avoid strong acids/oxidants that may degrade thiometallates.
• Include appropriate metal ion controls and, where relevant, rescue experiments with copper supplementation to confirm on-target, metal-dependent effects.
• Consider light protection for longer incubations to minimize any photochemical redox processes in sulfur-rich complexes.

Reaction Conditions

There are no item-specific, validated reaction conditions in the Product Data. The following summarizes general, literature-based conditions for using copper chelators like ATN-224 in research assays.

• Stock solutions: Commonly prepared at 10–100 mM in water or DMSO; store as single-use aliquots at low temperature.
• Working concentrations: Literature studies span ~0.1–100 μM in cell culture and up to low mM in biochemical assays, depending on copper load and matrix composition. Always titrate for your system and include controls.
• pH/Buffer: Near-neutral pH (6.5–8.0). Avoid strong acids and oxidants.
• Temperature: Ambient for most incubations; cold conditions during stock prep to limit decomposition.
• Light: Optional light protection for extended incubations to reduce photoredox side reactions common to sulfur-rich systems.
• Compatibility:
  • May interact with thiols, histidines, and other metal-binding residues in proteins; interpret results accordingly.
  • Can sequester copper from media supplements; assess background copper and consider controlled add-back experiments.

Quality controls:

• ICP-MS or colorimetric chelator assays (e.g., BCS) to confirm copper depletion.
• Parallel viability/cytotoxicity readouts to distinguish on-target metal effects from nonspecific toxicity.

Note: These ranges are general literature guidance and not guaranteed specifications for this product.

Safety and Handling

Safety data specific to this lot/item are not provided in the Product Data. Always consult the product SDS for authoritative hazard classification and response measures.

• GHS Classification / Pictograms / Signal Word / H-Statements: Not specified for this item; refer to SDS.
• Primary hazards (general chemical context):
  • Thiometallate salts can decompose under strongly acidic conditions with potential formation of reduced sulfur species; avoid acid contact and high temperatures.
  • Fine powders may be irritating to eyes/skin/respiratory tract upon contact or inhalation.
  • Strong copper chelation may interfere with trace metal content in biological systems; handle and dispose as a specialized laboratory reagent.
• PPE recommendations (good laboratory practice):
  • Lab coat, safety glasses or face shield, and appropriate chemical-resistant gloves (e.g., nitrile). Handle in a fume hood when weighing or preparing solutions.
• Storage incompatibilities:
  • Avoid strong acids, oxidizers, and prolonged exposure to moisture. Keep container tightly closed.
• First-aid overview (general):
  • Skin/eye contact: Rinse with copious water for ≥15 minutes; remove contaminated clothing; seek medical attention if irritation persists.
  • Inhalation: Move to fresh air; support breathing as needed; seek medical evaluation.
  • Ingestion: Rinse mouth; seek medical attention.
• Waste disposal: Collect as hazardous chemical waste. Coordinate disposal with institutional EHS; do not discharge to drains.

Solvent Selection

ATN-224 is an ionic, metal–sulfur-containing salt; its solvation profile is dominated by polar interactions. Item-specific solubility is not provided; the following summarizes general, literature-based practice for thiomolybdate salts and similar copper-binding ligands.

• Primary choices:
  • Water or aqueous buffers (pH 6.5–8.0) for biochemical assays.
  • DMSO for concentrated stocks when water solubility is limiting; dilute into aqueous media immediately before use.
• Typically disfavored: Nonpolar/aprotic solvents (hexanes, toluene, CPME) due to poor solubility of ionic salts.
• pH considerations: Maintain near-neutral conditions to limit acid-promoted sulfide release or decomposition.
• Filtration: If particulates are present, 0.22 μm PTFE or PES syringe filters are suitable for aqueous/DMSO mixtures.

Comparison (literature-based, general):

• Choline or ammonium thiomolybdates: generally water-compatible; preferred for cell assays.
• Neutral organic chelators (e.g., BCS/BCS analogs): dissolve readily in water; lack Mo/S content but target Cu(I) selectively; different spectral properties.

Practical tips:

• Prepare a small test stock at the intended concentration (e.g., 10–50 mM) to confirm clarity and stability over the assay time window.
• Use metal-clean plasticware or pre-acid-washed glassware neutralized/rinsed thoroughly to minimize trace metal contamination that can consume chelator.

Storage and Reconstitution

Storage conditions (from Product Data):

• Store at −80°C.
• Shipped on dry ice packs + cold packs to maintain low temperature during transit.

Additional handling guidance:

• Upon receipt, place immediately at −80°C. Minimize freeze–thaw by preparing single-use aliquots.
• Keep container tightly closed in a dry environment. Protect from moisture and strong acids.

Reconstitution (general guidance; not item specification):

• Solvent selection: water (or appropriate buffer at pH 6.5–8.0) or DMSO for concentrated stocks. Verify clarity and stability before use.
• Typical workflow: allow vial to equilibrate to room temperature in a desiccator before opening to prevent condensation; weigh quickly; dissolve in pre-chilled solvent; sterile-filter if required for cell work; use immediately or aliquot and refreeze.
• Storage of solutions: for highest integrity, store frozen aliquots at ≤−20°C (short term) or −80°C (longer term). Avoid repeated thaw cycles.

Specification notes:

• Appearance, solubility limits, and exact reconstitution concentration: Not specified for this item; refer to CoA/Spec Sheet.

Labeling: For research use only.

Structure and Identity

Brief description: ATN-224 is supplied as part of Aladdin’s Moligand series and is commonly referenced in the literature as a copper-binding thiometallate complex used as a research tool compound. Item-specific structural identifiers beyond CAS and CID are not provided in the product data.

• SKU: A1498420
• Product Name: ATN-224
• CAS: 649749-10-0
• PubChem CID: 18442052
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general literature description; not item specification):

• ATN-224 is widely described as a salt form of a thiomolybdate anion that binds copper with high affinity. A frequently cited form is a choline tetrathiomolybdate salt comprising a tetrahedral [MoS4]2− anion charge-balanced by organic cations. The anion presents multiple terminal sulfido donors that coordinate soft metal centers such as Cu(I/II).
• 2D description (literature): a discrete, tetra-sulfido molybdate anion paired with one or more organic onium cations; no stereocenters in the anion. The organic counterion provides enhanced aqueous compatibility and handling compared to simple inorganic ammonium salts.

Notes:

• Where exact identifiers (SMILES, InChIKey) are required for registration or LIMS, please consult the item’s CoA/Spec Sheet or contact Aladdin Technical Support to confirm the exact salt/counterion representation for this catalog entry.

Synthetic Utility

As a strong copper-binding thiometallate salt, ATN-224 is not commonly used as a building block or reagent in classical organic synthesis. Instead, its value lies in modulating metal availability in complex mixtures.

Potential roles (specialized):

• Copper scavenger in post-reaction workups where removal of trace copper is needed (literature concept). Its strong affinity could, in principle, reduce residual copper in solution; however, downstream handling of sulfur/molybdenum residues and counterion exchange limits practicality compared with polymer-supported scavengers.
• Reference ligand in coordination chemistry studies to benchmark Cu(I/II) binding versus other chelators.

Limitations:

• The presence of Mo–S functionality can complicate analytical baselines (sulfur background, UV–vis features) and may be incompatible with oxidative or acidic conditions.
• It can poison copper catalysts; thus it is generally avoided in copper-catalyzed transformations and is unsuitable as a catalytic ligand.

If your objective is metal scavenging in synthesis, consider resin-bound iminodiacetate, thiourea, or bipyridyl scavengers designed for operational simplicity and easy filtration.

Target Specificity

Only target information present in Product Data may be listed here.

• Target, epitope, species reactivity, clone/isotype: Not applicable to this small-molecule product and not specified for this item.

General research context (for orientation only):

• ATN-224 is used broadly as a copper-binding tool rather than a single-target ligand; observed effects typically arise from modulation of copper availability affecting multiple copper-dependent proteins. For target-specific questions, design appropriate rescue and orthogonal validation experiments.