ST-401 - Moligand™, 10 mM in DMSO , CAS No.2419942-78-0

CAS: 2419942-78-0 Cat. No.: S1498551 Formule: C₂₄H₂₀N₂O Poids moléculaire: 352.43

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

ST-401, a microtubule-targeting agent (MTA), is a brain-penetrant microtubule (MT) assembly inhibitor. ST-401 disrupts microtubule (MT) function through gentle and reverisible reduction in MT assembly that triggers mitotic delay and cell death in interphase. ST-401 shows a potent antitumor activity.

Specifications

Spécifications et pureté

Moligand™, 10 mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Noms et identifiants

Poids moléculaire

352.43

Application Protocols

No item-specific, validated application protocols are provided for ST-401.

General protocols for small-molecule screening (guidance)

• Stock preparation: Dissolve accurately weighed compound in anhydrous DMSO to a convenient concentration (e.g., 10 mM). Vortex, briefly sonicate, and inspect for clarity. If insoluble, try incremental heating to 30–37°C or alternative solvents compatible with your assay.
• Plate handling: Dispense stocks into low-binding 96/384-well plates using positive-displacement pipettes or acoustic dispensing. Seal plates (foil or heat seals) to minimize evaporation and DMSO uptake of water.
• Serial dilutions: Perform serial dilutions in DMSO or assay buffer to achieve the desired concentration range. Aim for final DMSO ≤0.1–1% v/v in the assay.
• Controls: Include vehicle controls at matching DMSO content, positive controls (if available), and orthogonal readouts to mitigate mechanism-agnostic artifacts. Employ detergent (0.01–0.05% non-ionic) when aggregation is suspected.
• Data quality: Record lot number, exact concentration (back-calculated from weight and purity when known), solvent, and plate map. Repeat key findings from fresh aliquots and independent weighings.

Note: Adapt conditions to the biological system and detection method. Validate solubility and stability under assay conditions before large-scale screening.

Biological Roles

Item-specific biological/target data

• Target, pathway, and mechanism: Not specified for this item; refer to CoA/Spec Sheet or internal screening results.

General considerations for screening ligands

• ST-401 is provided for research use only as part of a small-molecule library offering. Without disclosed structural or target information, any biological role must be empirically determined by the end user.
• Potential roles in discovery workflows include acting as a modulator (inhibitor, activator, antagonist, agonist, or binder) in biochemical or cellular assays. Determine mode of action through dose–response curves, orthogonal readouts, and target engagement assays (e.g., CETSA, SPR/BLI, NanoBRET target engagement).
• Off-target liabilities and assay interference should be assessed early. Incorporate selectivity panels and cellular counter-screens to build confidence in specificity and to inform follow-up chemistry.

Data hygiene

• Confirm identity and purity prior to biological testing. Track lot numbers, solvent composition, and exact concentrations. Replicate findings with independent preparations and blinded sample IDs to control for operator bias.

Note: No clinical or diagnostic use is intended or permitted. This product is for laboratory research use only.

Buffer Applications

This product is not a buffer reagent. No buffer system specifications are provided.

Practical guidance for using small molecules in buffer (general)

• Preparation: Make a concentrated DMSO stock (e.g., 10 mM) and dilute into assay buffer immediately before use. Keep final organic solvent levels low (commonly 0.1–1% v/v) to maintain biological compatibility.
• Typical assay buffers: HEPES (pH 7.2–7.6), PBS (pH 7.2–7.4), or Tris-based buffers (pH 7.4–8.0), selected for target stability and readout compatibility. Add 0.01–0.05% non-ionic detergent to reduce aggregation artifacts when appropriate.
• Filtration: If precipitation occurs on dilution, consider adding co-solvent within assay limits, gentle warming, or serial dilution strategies to keep the compound above its solubility threshold.

Item-specific buffer data (pH range, ionic strength tolerance, chelator compatibility): Not specified for this item; refer to CoA/Spec Sheet or determine empirically.

Green Alternatives

Given that ST-401 is a screening compound rather than a process solvent or reagent, greener practice focuses on solvent and workflow choices rather than replacing the compound itself.

Greener practice recommendations (general)

• Stock solvent selection: Prefer DMSO over DMF where feasible due to lower volatility and improved handling. Avoid chlorinated solvents for routine dissolution.
• Miniaturization: Use low-volume plate formats (384/1536-well) to reduce solvent consumption and waste per data point.
• Aqueous delivery: When compatible with solubility and stability, deliver compound in aqueous buffer with minimal DMSO (≤0.1–0.5% v/v) to reduce organic solvent usage.
• Waste management: Segregate DMSO- and DMF-containing waste; capture rinse solvents for appropriate disposal. Use prefilled solvent reservoirs to minimize spills and evaporative losses.

Illustrative comparison (general)

• DMSO vs DMF: DMSO typically offers comparable solvency with lower acute toxicity and better assay tolerance; DMF may be necessary for particularly recalcitrant compounds but increases EHS burden.
• Ethanol vs acetonitrile: Ethanol is generally a greener alternative for moderate-solubility compounds; acetonitrile offers strong solvency but higher environmental footprint.

Caveats

• Actual solvent choice must be guided by the compound’s real solubility/stability, which are not specified here. Verify compatibility with your detection modality and biological system.

Pharmaceutical Uses

No pharmaceutical or excipient uses are specified for this product. ST-401 is supplied strictly for research use only.

Context (general)

• Screening compounds like ST-401 may be used in early discovery research to explore biological hypotheses and evaluate target tractability. They are not manufactured or qualified to pharmacopeial standards (e.g., USP/EP) unless explicitly stated.
• No formulation guidance for clinical or preclinical administration is provided or implied. Do not use in humans or for diagnostic purposes.

If formulation-like studies are needed for research models

• Any vehicle testing (e.g., DMSO/PEG/solutol mixtures) should remain strictly non-clinical and aligned with institutional IACUC/ethics approvals. Stability, sterility, and endotoxin specifications are not provided for this item and must be established independently if required for research.

Physical Properties

Item-specific physical data

• 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 point: Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point: Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable for solids; if liquid, not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD and pKa: Not specified for this item; refer to CoA/Spec Sheet.

General considerations for screening compounds (literature/general)

• Most library-grade small molecules are formulated for dissolution in anhydrous DMSO at 10–50 mM. Actual solubility is highly structure-dependent; verify experimentally.
• If a compound shows poor DMSO solubility, co-solvents such as DMF or mixtures with aqueous buffer containing 0.1–1% non-ionic surfactant (e.g., Tween-20) can sometimes help, subject to assay compatibility.
• Hygroscopic or deliquescent behavior cannot be assumed. Handle under dry conditions until material behavior is confirmed.

Note: Because specific physicochemical values are not provided for ST-401, treat all quantitative properties as unknown until confirmed by the CoA/Spec Sheet or your in-house measurements.

Quality and Grades

Item-specific grade

• Grade/Purity: Moligand™ (as listed). Item-specific numeric purity, residual solvents, metal content, stabilizers, or assay data: Not specified for this item; refer to CoA/Spec Sheet.

What Moligand™ generally implies (general description)

• Moligand™ designates a research-use small-molecule ligand entry suitable for screening and discovery workflows. Typical expectations include identity confirmation and purity control appropriate for biochemical/cellular assays; however, exact test methods (e.g., LC–MS, HPLC area%, NMR) and acceptance criteria are not specified here.

Implications for experimental planning

• UV background and interference: Without a UV cutoff/impurity profile, perform a blank solvent scan and evaluate assay readouts for compound interference (e.g., fluorescence quenchers, colored species).
• Metal-sensitive assays: Trace metal content is not specified; for metalloprotein assays, consider adding chelators to buffers or re-purifying if necessary.
• Stabilizers: None are listed. If peroxide, antioxidant, or acid/base stabilizers are present, they would be noted on the CoA; treat as unknown until verified.

Documentation and release controls

• For regulated documentation (CoA, lot-specific purity, analytical chromatograms), request the Spec Sheet/CoA for the specific lot received. Record lot number and retain aliquots for troubleshooting and reproducibility.

Reaction and Applications

Applications for ST-401 as supplied

• This product is positioned as a Moligand™ small-molecule for research screening. No synthetic reaction applications are specified in the Product Data.

Typical research applications for screening ligands (general)

• Biochemical assays: Evaluate dose–response against enzyme or receptor targets using standard readouts (e.g., fluorescence, luminescence, absorbance). Confirm activity across orthogonal assay formats to de-risk artifacts.
• Target engagement: Thermal shift assays, CETSA, DARTS, or SPR/BLI for binding assessment without requiring functional readouts.
• Cellular/phenotypic screening: Measure cellular phenotypes, pathway reporter activity, or imaging-based responses while controlling solvent carryover and cytotoxicity.
• SAR exploration: If analogs are available, use matched-series testing to develop preliminary structure–activity relationships.

Notes on synthetic chemistry usage

• Because no functional groups or reactivity are disclosed, ST-401 is not recommended as a generic reagent or building block without prior structural information. If derivatization or immobilization is desired (e.g., for probe development), determine structure and reactivity via analytical characterization first.

Controls and artifacts

• Evaluate assay interference (fluorescence quenching, redox cycling, aggregation). Employ detergent controls (0.01–0.05% non-ionic), counter-screens, and PAINS filters where applicable. Validate hits with fresh solid and independent stocks.

Reaction Conditions

No reaction conditions are specified for ST-401, and it is not offered as a synthetic reagent.

General, non-item-specific guidance (only if chemical modification is undertaken after structure confirmation)

• Solvents: Dry DMSO, DMF, acetonitrile, or alcoholic media may be applicable depending on functional groups; verify stability by TLC/UPLC.
• Temperature: Start at ambient temperature; escalate cautiously (≤60 °C) while monitoring for decomposition.
• Catalysts/bases/acids: Choose mild conditions (e.g., HATU/DIPEA for amidation; Pd/C or Pd(PPh3)4 for simple couplings) only after establishing compatibility. Avoid strong oxidants/reductants until stability is known.
• Workup: Quench gently and extract with appropriate solvents; protect from air/moisture if the compound proves sensitive. Use low light if chromophoric degradation is suspected.

Reminder

• These are generic considerations. Item-specific conditions, yields, or mechanisms cannot be provided from the current Product Data.

Safety and Handling

GHS and hazard data

• Signal word: Not specified for this item; refer to SDS.
• H-statements: Not specified for this item; refer to SDS.
• GHS classification/pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (best practice)

• Handle as a potentially hazardous small molecule. Avoid inhalation, ingestion, and skin/eye contact. Use in a chemical fume hood.
• Personal protective equipment: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Change gloves frequently when working with DMSO solutions due to dermal transport potential of DMSO.
• Storage incompatibilities: Unknown for this item; segregate from oxidizers, strong acids/bases, and reducing agents until compatibility is known. Keep tightly closed to minimize moisture uptake and contamination.

First-aid overview (general)

• Skin/eye contact: Rinse immediately with water for at least 15 minutes; remove contaminated clothing; seek medical advice.
• Inhalation: Move to fresh air; seek medical attention if symptoms persist.
• Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.

Special risks and handling notes

• Do not aerosolize powders or concentrated solutions. Use dust control and proper weighing technique (weigh boats, antistatic tools).
• If compound identity is unknown, avoid heating or pressurizing solutions. Dispose of waste as organic hazardous waste in accordance with institutional and local regulations.
• Always consult the SDS for authoritative, item-specific safety information once available.

Solvent Selection

Item-specific solubility is not provided; therefore, select solvents empirically with assay compatibility in mind.

General guidance for small-molecule screening compounds (literature/general)

• Primary stock solvent: Anhydrous DMSO is the default for discovery libraries due to broad solvency and compatibility with most biochemical and cell-based assays.
• Secondary options: DMF and ethanol can assist with dissolution but may be less tolerated in biological assays. If aqueous delivery is required, prepare concentrated DMSO stocks and dilute into buffer, keeping final DMSO at 0.1–1% v/v (optimize per assay).
• Water miscibility: Unknown for this item. Avoid direct dissolution into aqueous buffers unless high polarity/ionizability is confirmed.
• pH-dependent solubility: Without pKa data, avoid strong acid/base adjustments until stability is established. If ionizable, mild pH shifts (pH 6–8) can improve solubility without compromising assay components.

Small comparison (general)

• DMSO: Widest solvency; excellent for 10–50 mM stocks; may affect cell membranes at >0.5–1% v/v.
• DMF: Strong solvent; higher toxicity; use when DMSO fails and assay tolerates ≤0.2% v/v.
• Ethanol: Good for moderately lipophilic species; typical assay tolerance ≤0.5% v/v.

Practical tips

• Sonication and brief warming (≤37°C) can aid dissolution; avoid prolonged heating. Filter 0.2 µm if particulate persists and if no compound loss is expected.
• Record exact solvent, concentration, and any solubilizing excipients used for reproducibility.

Storage and Reconstitution

Item-specific storage and shipping

• Storage conditions: Store at -80°C (as provided in Product Data). Minimize freeze–thaw cycles.
• Shipped in: Dry ice packs + Cold packs.

General reconstitution guidance for small molecules

• Equilibration: Upon receipt, keep frozen. Allow the container to equilibrate to room temperature in a desiccator before opening to prevent condensation.
• Environment: Handle solid material in a dry environment; cap promptly. If provided as a solution, keep sealed and cold; verify concentration on the label.
• Solubilization: Prepare concentrated stocks in anhydrous DMSO (e.g., 10 mM) unless the CoA specifies an alternative solvent. Vortex and, if needed, briefly sonicate or gently warm (≤37°C) to aid dissolution.
• Aliquoting: Divide into single-use aliquots in low-binding tubes or plates. Flush headspace with inert gas if the compound is known or suspected to be air/moisture sensitive (sensitivity not specified here).
• Storage of solutions: Store aliquots at -80°C. Avoid repeated freeze–thaw; thaw on ice and use immediately. Track cumulative time at room temperature.

Stability information

• Shelf life, light sensitivity, and solution stability: Not specified for this item; refer to CoA/Spec Sheet. Until known, protect from light and moisture, and avoid prolonged exposure to ambient conditions.

Research use note

• For research use only. Not for human or clinical use.

Structure and Identity

Brief description: ST-401 (SKU S1498551) is supplied as a Moligand™ small-molecule screening ligand entry from the small molecules and compound libraries category.

Item-specific facts (from Product Data)

• Product name: ST-401
• CAS: 2419942-78-0
• Grade: 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.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general guidance)

• Structural class and functional groups are not disclosed in the Product Data. As supplied, ST-401 should be treated as an unknown small molecule for assay planning.
• Without a provided structure, assumptions about aromaticity, heterocycles, stereochemistry, or ionizable groups should not be made. Confirm via the CoA/Spec Sheet or your own analytical characterization (e.g., LC–MS, 1H/13C NMR, HRMS).

2D structure description (general)

• Not available from the Product Data. If structural information is necessary for docking, SAR, or target hypothesis work, request the structural disclosure or rely on experimental target deconvolution approaches (thermal shift, CETSA, pull-downs, chemoproteomics) that do not require a priori structures.

Synthetic Utility

Item-specific reactivity and functional groups are not disclosed; therefore, ST-401 should not be presumed suitable as a synthetic reagent or building block.

General guidance if derivatization is contemplated

• Determine structural identity and functional group content by LC–MS and NMR before attempting transformations (e.g., cross-coupling, amide formation, protection/deprotection).
• Assess stability in common reaction media and to heat, acid/base, and oxidants/reductants using small test reactions.
• For probe development (biotinylation, photoaffinity tags, linkers), map accessible positions via SAR and retain the pharmacophore. Validate that modifications preserve biological activity.

Retrosynthetic and purification notes (general)

• If the compound bears multiple heteroatoms or aromatic systems (unknown here), anticipate potential polymorphism and multiple tautomers, which complicate purification and characterization.
• Employ orthogonal analytics (UPLC–PDA–MS, qNMR) to confirm integrity after any chemical manipulation.

Summary

• In the absence of structure or functional group disclosure, treat ST-401 as a use-as-is screening tool rather than a synthetic intermediate. Obtain the CoA/Spec Sheet or structural disclosure if chemical modification is required.

Target Specificity

Item-specific data

• Molecular target(s), isoform selectivity, species selectivity, and binding constants: Not specified for this item; refer to CoA/Spec Sheet or generate empirically.

General recommendations to establish specificity

• Use orthogonal binding and functional assays to triangulate on-target activity (e.g., enzymatic IC50 combined with CETSA or SPR/BLI Kd estimation).
• Run selectivity panels across related family members and common anti-targets. Include counter-screens for assay interference (redox cycling, aggregation, fluorescence quenching).
• Confirm reproducibility with independent lots/stocks and assess activity in the presence of serum proteins to evaluate nonspecific binding.

Note

• Until target engagement is confirmed, treat all biological effects as phenotypic observations rather than evidence of specific molecular recognition.

Foire aux questions

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 should this product be stored?

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

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 2419942-78-0, the molecular formula is C24H20N2O, and the molecular weight is 352.43 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.