HQ-415 - Moligand™, 10 mM in DMSO , CAS No.430462-93-4

CAS: 430462-93-4 Cat. No.: H1498781 Fórmula: C₂₅H₂₅N₃O₃ Peso molecular: 415.500

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

HQ-415 is a biologically active metal chelator related to Clioquinol, with an EC 50 of 15 μM.

Specifications

Especificaciones y pureza

Moligand™, 10 mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Nombres e identificadores

Peso molecular

415.500

Application Protocols

No assay-specific protocols are validated for this item. The following general workflow is typical for small-molecule library compounds in screening campaigns.

Suggested workflow (general; adapt to your assay)

1. Stock preparation

• Warm sealed vial to room temperature in a desiccator. Briefly centrifuge to collect contents. Dissolve to 10–50 mM in anhydrous DMSO. Vortex and, if needed, sonicate briefly. Record final concentration by weight-in/volume.

2. Aliquoting and storage

• Dispense single-use aliquots (5–50 μL) into low-bind tubes or plates. Store at -80°C in sealed containers with desiccant. Avoid repeated freeze–thaw.

3. Assay dilution

• Prepare serial dilutions in DMSO (e.g., 3× or 10× intermediates), then dilute into buffer/cells to reach final DMSO at 0.1–1%. Include vehicle controls matched for DMSO.

4. Solubility/aggregation checks

• Inspect for turbidity on dilution; optional: dynamic light scattering or nephelometry. Include 0.01–0.05% nonionic surfactant controls where compatible.

5. Data quality controls

• Include positive and negative controls, plate uniformity checks (Z′ factor), and test for redox interference/fluorescence artifacts where relevant.

Note: These are generalized practices for research compounds and are not validated specifically for HQ-415.

Biological Roles

Item-specific biological targets, pathways, and mechanisms for HQ-415 are not disclosed in this listing.

General context for small-molecule research ligands (informational; not item-specific claims)

• Small molecules are used as chemical probes to modulate protein function, interrogate signaling pathways, and validate targets in chemical biology.
• Typical mechanistic classes include enzyme inhibitors, receptor ligands, transport modulators, and allosteric effectors. Definitive assignment requires target-specific data.
• Off-target assessments (e.g., counterscreens, panel profiling) are critical to distinguish specific engagement from nonspecific effects such as redox cycling or colloidal aggregation.

Recommendations

• Before attributing a biological role, obtain or generate target engagement evidence (e.g., CETSA, pull-down/chemoproteomics, binding kinetics) and measure concentration–response relationships with appropriate controls.
• Record vehicle effects and evaluate cytotoxicity windows separately from phenotypic signals.

For item-specific biological information (targets, KD/IC50 values, selectivity), consult the CoA, associated technical note, or contact Aladdin Scientific.

Buffer Applications

This product is not a buffering agent and has no established role in preparing biochemical buffer systems.

Practical guidance for assay buffers involving small-molecule stocks (general)

• Prepare concentrated stocks in DMSO and dilute into pre-warmed buffer (e.g., PBS, HEPES, Tris) to final DMSO levels typically 0.1–1% v/v. Confirm that your biological system tolerates the chosen vehicle.
• To reduce precipitation upon dilution, add compound last with rapid mixing, or pre-dilute the DMSO stock 1:10 in buffer containing 0.01–0.05% nonionic surfactant if compatible with the assay.
• Filter buffers (0.22 μm) to limit particulates that confound optical readouts.
• Maintain pH and ionic strength appropriate to the biological target; pH shifts can alter compound ionization and solubility.

If a buffering role is actually required for your workflow, select canonical buffers with known pKa and buffering ranges (e.g., HEPES pKa ~7.55, phosphate pKa2 ~7.2; literature values), not this product.

Green Alternatives

While DMSO is the default solvent for screening compounds, greener choices or greener workflows may be feasible depending on solubility and assay tolerance. The compound-specific feasibility for HQ-415 is unknown; evaluate empirically.

Greener solvent considerations (general)

• Replace or minimize high-toxicity aprotic amides (DMF, NMP) with DMSO, ethanol, or water-based vehicles where possible.
• Use aqueous buffers with minimal DMSO (≤0.5–1%) at the point of screening.
• Consider cyclodextrin inclusion or serum albumin carriers to increase apparent solubility in water-based systems (verify assay compatibility).

Small comparison (general; not item-specific)

• DMSO: Broad solvency; moderate environmental profile; widely accepted in bioassays.
• Ethanol: Renewable sources available; good biodegradability; limited solvency for very hydrophobic scaffolds.
• Water + co-solvent (e.g., 0.5% DMSO): Greenest matrix when achievable; precipitation risk must be managed.
• PEG 400 or propylene glycol: Greener than DMF/NMP; higher viscosity; may interfere with some readouts at >1–2%.

Process improvements

• Right-size aliquots to minimize waste and freeze–thaw.
• Plate compounds in low-dead-volume formats to reduce solvent usage.
• Where possible, use room-temperature operations to cut energy usage, consistent with compound stability.

Pharmaceutical Uses

No pharmaceutical or excipient uses are defined for this item. It is supplied strictly for research purposes in discovery chemistry and chemical biology.

Context (general; not item-specific claims)

• Library ligands can inspire medicinal chemistry campaigns but are not manufactured under GMP, lack pharmacopoeial monographs, and are not qualified for human or veterinary administration.
• If formulating for preclinical research, conduct full material characterization (identity, purity, residual solvents, solid form) and develop an appropriate vehicle supported by toxicology data. This is outside the scope of Moligand research grade.

Compliance

• For research use only. Not for diagnostic, therapeutic, or clinical use. No USP/EP/JP monograph is provided for this product.

Physical Properties

Item-specific physicochemical data are not published in this listing.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
• Melting/Boiling Point: Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• LogP, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Item-specific solubility data are not provided. For Moligand library compounds, anhydrous DMSO is commonly used for stock solutions; verify empirically.

General guidance (literature/practice; not item-specific)

• Many small-molecule screening ligands are prepared as 10–50 mM DMSO stocks and then diluted into aqueous assay buffers to 0.1–1% DMSO final (literature practice). Precipitation risk increases on dilution; confirm visually or via nephelometry.
• If aqueous compatibility is required, measure kinetic solubility in the intended buffer and pH. Co-solvent strategies (DMSO → buffer with 0.01–0.1% nonionic surfactant) can mitigate aggregation for hydrophobic scaffolds.

Always rely on the lot-specific CoA/SDS for authoritative values.

Quality and Grades

Grade: Moligand (Aladdin Scientific)

What Moligand signifies

• Research screening grade: Intended for hit discovery, SAR exploration, and probe development workflows. Emphasis on identity confirmation and usability in biochemical/cell-based assays rather than analytical chromatography.
• Documentation: Lot-specific CoA typically includes identity confirmation (e.g., 1H NMR/LC-MS) and purity by an orthogonal method (e.g., HPLC-UV). Request current CoA for definitive details.
• Stabilizers/Additives: Not specified for this item; refer to CoA/Spec Sheet. Unless noted, Moligand items are provided neat or as dry films suitable for DMSO stock preparation.

What this means in practice

• Consistency: Batches are suitable for screening plates and follow-up assays; however, they are not certified for GMP manufacturing or clinical use.
• Purity expectations: Purity thresholds are tuned for discovery research. If ultra-low UV background or trace-metal specifications are critical (e.g., analytical reference standards), contact us—bespoke purification may be available.
• Trace specifications (water, peroxides, residual metals, UV cutoff): Not specified for this item; refer to CoA/Spec Sheet.

Use constraints

• For research use only. Not for human or veterinary use, diagnostics, or therapeutic applications.

Reaction and Applications

This product is offered primarily as a discovery research ligand for screening and probe development, not as a synthetic reagent. Therefore, classic synthetic reaction applications (e.g., cross-coupling, Grignard) are not typically relevant.

Applicable research uses (general; not item-specific claims)

• Primary and secondary screening in biochemical target assays (enzyme, receptor, PPI) to evaluate activity and selectivity.
• Phenotypic assays (cell-based readouts) to identify functional responses and prioritize chemotypes for SAR.
• Orthogonal assay confirmation (e.g., counter-screens for redox activity or aggregation) to de-risk false positives.

Good practices

• Verify identity/purity from the lot-specific CoA before screening. If necessary, perform in-house LC-MS to confirm mass and chromatographic profile.
• Establish maximum tolerated vehicle concentration (DMSO, etc.) for your assay system.
• Run solubility and colloidal aggregation checks (e.g., detergent sensitivity, light scattering) to avoid PAINS-like artifacts.
• Store master stocks at -80°C and work from single-use aliquots to limit freeze–thaw cycles.

If you intend to use this material as a synthetic building block, obtain the structure and functional group information first; reaction planning is not possible without those details.

Reaction Conditions

Not applicable. This product is not presented as a reagent for chemical transformations, and its structure is not disclosed here. Therefore, no meaningful synthetic reaction conditions can be recommended.

If you plan to use this compound synthetically, first obtain full structural information (SMILES/InChI, functional groups), then consult the primary literature for conditions relevant to its scaffold (e.g., cross-coupling of aryl halides, amide couplings, nucleophilic substitutions), and validate on small scale.

Safety and Handling

Hazard information for this specific catalog entry is not disclosed on this page. Treat as a laboratory chemical of unknown hazard.

• GHS Classification: Not specified for this item; refer to SDS.
• Signal Word/H-statements/Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (good practice)

• PPE: Lab coat, safety glasses, and appropriate chemically resistant gloves. Handle powders/solid residues in a certified chemical fume hood to avoid inhalation.
• Avoid exposure: Prevent aerosol formation; minimize skin contact. Use dedicated tools for microgram–milligram handling.
• Incompatibilities: Unknown for this item. As a general rule, keep away from strong oxidizers, strong acids/bases until compatibility is established.
• First aid (overview; defer to SDS): Eye/skin contact—rinse with water for ≥15 minutes; inhalation—move to fresh air; ingestion—rinse mouth, seek medical attention. Provide the SDS to healthcare providers.
• Spill response: For small quantities, adsorb with inert material and collect for disposal; avoid generating dust. For solutions, contain and wipe with compatible absorbent.
• Waste: Dispose according to institutional and local regulations for organic laboratory chemicals.
• Transport and receipt: Shipped on dry ice + cold packs; inspect for integrity upon arrival. Do not handle frozen vials with wet/ungloved hands to prevent vial cracking or thermal injury.

Always consult the item’s SDS for authoritative hazard and response information.

Solvent Selection

Because item-specific solubility is not provided, select solvents empirically with assay intent in mind.

Primary solvent for reconstitution

• DMSO (anhydrous, ≥99.9%): The default for small-molecule libraries due to broad solvency and assay compatibility. Filter or dry as needed; store under inert atmosphere if possible.

Secondary solvents/co-solvents (when needed)

• DMF or NMP: Higher polarity and boiling points; consider for difficult scaffolds. Verify biological assay tolerance.
• Ethanol or isopropanol: Useful intermediates for aqueous titration; more volatile and often more biocompatible than aprotic amides.
• Aqueous buffers (PBS, HEPES, Tris): Final vehicle for biological assays; limit DMSO to 0.1–1% v/v when possible to reduce vehicle effects.

Comparison (general; not item-specific)

• DMSO: Broad solvency, miscible with water; can carry over sulfur background in MS-based assays.
• DMF/NMP: Excellent solvency; potential cytotoxicity at low percent levels—validate carefully.
• EtOH/i-PrOH: Safer profiles; limited for very hydrophobic chemotypes.

Practical tips

• Prepare a small solubility ladder (e.g., 1, 10, 50 mM in DMSO) and check for clarity at room temperature and upon dilution 1:100 into buffer.
• Add compound to solvent (not vice versa) and mix gently to avoid foaming/aggregation.
• If precipitation occurs on dilution, try serial dilution in the presence of 0.01–0.05% nonionic surfactant (e.g., Tween 20) where biologically acceptable.

Storage and Reconstitution

Storage

• Store at -80°C (as provided). Keep container tightly closed in a dry, inert atmosphere (desiccated) to protect from moisture and potential oxidation. Minimize exposure to ambient humidity and temperature.
• Shipped on dry ice packs + cold packs. Inspect upon receipt; if thawing occurred, promptly re-freeze after confirming container integrity.

Stability

• Item-specific stability, hygroscopicity, and light sensitivity: Not specified for this item; refer to CoA/Spec Sheet. As a precaution, protect from light and avoid repeated freeze–thaw cycles.

Reconstitution (general guidance for Moligand compounds)

• Solvent: Use anhydrous DMSO to prepare a concentrated stock (e.g., 10–50 mM). The exact solubility limit for HQ-415 is not specified; determine empirically.
• Procedure: Allow vial to equilibrate to room temperature in a desiccator before opening. Briefly spin-down to collect contents. Add calculated DMSO volume, mix to clarity. If undissolved, apply brief bath sonication. Do not heat above ambient unless stability is known.
• Aliquoting: Prepare single-use aliquots to avoid freeze–thaw. Store aliquots at -80°C in sealed, moisture-tight containers.

Handling

• Work quickly on ice or at room temperature as appropriate, recap promptly, and purge headspace with inert gas if stability warrants. Label aliquots with concentration, date, and lot number.

For authoritative instructions, consult the lot-specific CoA/SDS. For research use only.

Structure and Identity

Research-grade screening ligand supplied under the Moligand line. Specific structural details for this catalog entry are not publicly listed here.

• SKU: H1498781 (Aladdin Scientific)
• Product Name: HQ-415
• CAS: 430462-93-4
• PubChem CID: 2907339
• Category: Small molecules and compound libraries (Moligand)
• 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

• Item-specific functional groups, heterocycles, stereochemistry, and ring systems: Not specified for this item; refer to CoA/Spec Sheet.

Notes

• This listing is intended for research and screening use. For definitive identity, please consult the lot-specific Certificate of Analysis (CoA) or request the Structure/SMILES under an NDA if applicable to your program.

Synthetic Utility

Synthetic applications cannot be described without a disclosed structure. For this catalog entry, structural information is not provided on this page.

General guidance if synthetic use is intended

• Obtain the structure (SMILES/InChI) and functional group map via CoA or direct request. Assess protecting group needs, redox stability, and handle-sensitive moieties (e.g., acid-labile acetals, base-labile esters) accordingly.
• If derivatization is planned (e.g., for SAR or linker installation), identify positions amenable to substitution and risk-assess potential liabilities (oxidation-prone motifs, hydrolysis, photolability) before route design.
• For bioconjugation, ensure the presence of a handle (amine, carboxyl, azide, alkyne). Absent that, consider late-stage C–H functionalization only with detailed structural data and literature precedent.

Without structure, we recommend using this material as supplied for screening and obtaining a structurally annotated variant for any synthetic program.

Target Specificity

Item-specific target information (protein/gene target, epitope, or binding site) is not provided in this listing.

• Antigen/Target: Not specified for this item; refer to CoA/Spec Sheet.
• Selectivity profile/panel data: Not specified for this item; refer to CoA/Spec Sheet.

Guidance (general)

• Determine specificity via orthogonal assays (biochemical vs. cellular), competition studies, and counter-screens against related family members.
• Use thermal shift, SPR, ITC, or CETSA to confirm direct binding when feasible.

Contact Aladdin Scientific for any available target notes or references associated with this SKU.

Preguntas frecuentes

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 430462-93-4, the molecular formula is C25H25N3O3, and the molecular weight is 415.500 g/mol.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.