GDC-2394 - Moligand™, 10 mM in DMSO , CAS No.2238822-07-4

CAS: 2238822-07-4 Cat. No.: G1497456 분자식: C₂₀H₂₅N₅O₄S 분자량: 431.51

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

GDC-2394 is an orally active and selective NLRP3 inhibitor, and also inhibits IL-1β with IC 50 s of 0.4 μM (human IL-1β) and 0.1 μM (mouse IL-1β). GDC-2394 inhibits NLRP3-induced caspase-1 activity without inhibiting NLRC4-dependent inflammasome activation .

Specifications

사양 및 순도

Moligand™, 10 mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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등급

Moligand™

작업 유형

INHIBITOR

이름과 식별자

분자량

431.51

Application Protocols

The following are general, non–item-specific procedures commonly used for small‑molecule tool compounds. Adjust based on your assay and consult the CoA for lot-specific details.

Preparation of DMSO stock

• Warm vial to ambient in a desiccator. Briefly centrifuge to collect contents. Add dry DMSO to achieve the desired concentration (e.g., 10 or 20 mM). Vortex and, if needed, sonicate briefly until fully dissolved. Record exact concentration and solvent lot.

Aliquoting and storage

• Dispense single‑use aliquots (e.g., 10–50 µL) into low-bind, amber vials or plates to minimize freeze–thaw. Flush headspace with inert gas if stability warrants. Store per item guidance (this product: −80°C).

Assay dilution

• Thaw an aliquot on ice or at room temperature. Dilute into pre-equilibrated buffer or cell culture medium to the working concentration, keeping final DMSO within tolerated levels (commonly ≤0.5–1% v/v). Include matched vehicle controls and, where available, a known active comparator.

Quality checks

• Inspect for precipitation/turbidity after dilution. Confirm identity and purity by LC–MS/HPLC when establishing a new lot. For microplate assays, verify signal window and Z’-factor and perform concentration–response with replicates.

Safety

• Handle within a fume hood with appropriate PPE. Dispose of solutions as hazardous waste.

Biological Roles

GDC-2394 is provided as a research-only small molecule from Aladdin’s Moligand collection. Item-specific biological target, mode of action, and pathway annotations are not listed in this entry.

How such compounds are typically used

• As chemical probes or tool compounds to interrogate signaling pathways, enzymatic functions, or cellular phenotypes in discovery research.
• In structure–activity relationship (SAR) campaigns, serving as a comparator or seed for analog design when target information is available to the user.
• For method development in bioanalytical assays (e.g., LC–MS/MS), where a consistent, well-characterized small molecule supports calibration and QC once reference parameters are established from the CoA.

Good practices

• Establish on-target versus off-target effects with orthogonal assays (biochemical, biophysical, and cell-based), especially when mechanism is not fully disclosed in catalog materials.
• Evaluate compound interference liabilities (fluorescence, redox activity, colloidal aggregation) using appropriate counterscreens to ensure biological readouts are trustworthy.
• Document stock concentration, solvent composition, and storage history to maintain reproducibility across experiments.

Note

• For research use only; not intended for diagnostic, therapeutic, or clinical applications. If you require curated target/pathway metadata for this item, contact Technical Support for any available references.

Buffer Applications

This product is not a buffering reagent and is not typically used to prepare defined pH buffer systems.

Practical notes for assays

• When diluting DMSO stocks into buffered assay media, choose buffers that maintain target stability and are compatible with the biological system (e.g., HEPES, PBS, Tris) and keep final DMSO within tolerated limits.
• Filter or degas buffers as required for analytical applications (e.g., HPLC mobile phases) to ensure baseline stability and reproducible retention.

For actual buffer formulation guidance, please refer to dedicated buffering agents rather than this compound.

Green Alternatives

Green chemistry considerations are generally less applicable to the compound itself and more relevant to how you handle solutions and analytical workflows.

Practical greener choices

• Prefer DMSO over DMF/NMP when feasible for stock solutions due to lower worker exposure concerns and better bioassay compatibility.
• For chromatography, use water–acetonitrile gradients rather than water–methanol when acetonitrile supply and waste handling policies permit; ACN can offer lower backpressure and shorter runs, reducing energy use.
• Minimize halogenated solvent use (e.g., dichloromethane) in sample preparation; replace with ethyl acetate or IPA–hexane blends where effective.
• Scale conscientiously: prepare the smallest stock volumes that support your study to limit solvent use and waste.

Waste and energy

• Consolidate compatible organic wastes to reduce containerization, and schedule cold-storage aliquoting to minimize freeze–thaw cycles and associated energy burden.

Tradeoffs

• DMSO is hygroscopic and can carry water into assays; tightly cap and use desiccated storage to maintain consistency.
• Greener solvent substitutions must be validated for assay performance and analyte stability; do not compromise data quality for nominal gains in greenness without evidence.

Pharmaceutical Uses

Intended use: research only. This product is not an active pharmaceutical ingredient (API) and is not for human or veterinary use.

Relevance in pharmaceutical R&D (general)

• Reference/tool compound: Often used as a comparator in early discovery screening, phenotypic assays, or mechanistic studies to de-risk targets and refine assay design.
• Analytical standard (research context): May serve as a system suitability marker or internal reference once identity and purity are confirmed via CoA; establish response factors under your method conditions.
• Formulation screening (preclinical research): Small-scale solubility and stability assessments in DMSO, co-solvent systems, or lipidic vehicles can support feasibility studies, though no item-specific formulation claims are made.

Regulatory and quality notes

• No pharmacopeial monograph or GMP status is claimed for this catalog item.
• For any regulated work (GLP/GMP), obtain and document full quality attributes (identity, purity, impurities, residual solvents, water content) from the CoA, and qualify the material as a reference standard internally.

Limitations

• Do not use for clinical administration, diagnostic procedures, or compounding. Avoid implying therapeutic performance; this material is for laboratory research only.

Physical Properties

Item-specific physical constants are not provided in the current listing. Where needed for method development, consult the CoA/Spec Sheet.

Available/unspecified values

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (BP): 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.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• logP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• pKa: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/practice)

• Many discovery-stage small molecules are formulated as DMSO stocks (e.g., 10–50 mM) for screening; actual solubility must be verified experimentally for this item.
• If low aqueous solubility is encountered, co-solvents (DMSO as primary) followed by aqueous dilution with surfactant or protein-containing media are commonly used in assay setup. Always confirm absence of precipitation by visual inspection or nephelometry.
• Hygroscopicity and polymorphism can affect handling and apparent solubility; evaluate lot-specific behavior if precision dosing is required.

Quality and Grades

Grade: Moligand™

What this means

• Moligand™ denotes Aladdin’s small‑molecule ligand/library grade suitable for discovery workflows such as high‑throughput screening, target validation, and mechanism-of-action studies.
• Emphasis is placed on identity verification and usability for biochemical/cellular assays. Chromatographic purity, residual solvent profile, and salt form are controlled per internal specifications.

Item-specific notes

• Purity/assay, residual solvents, counterion/salt form, and water content: Not specified for this item; refer to CoA/Spec Sheet.
• Any stabilizers or form-specific excipients: Not specified for this item; refer to CoA/Spec Sheet.

Practical implications

• For quantitative biology or medicinal chemistry, request the latest CoA with analytical traces (HPLC/UPLC, MS, and where available NMR). This supports assay reproducibility and data integrity.
• If you require low-UV-absorbing material for chromatographic detection, or specialized grades (e.g., LC–MS reference standard), contact Aladdin Technical Support for availability; upgrades may be possible for select catalog items.
• Lot-to-lot consistency is monitored; however, when transitioning between lots, re-qualify key assays (e.g., EC50/IC50 shifts due to solubility or polymorph differences).

Compliance

• For research use only. Not intended for human or veterinary use, diagnostic procedures, or as an API.

Reaction and Applications

This catalog item is intended as a bioactive small molecule for screening and mechanistic study rather than as a general synthetic reagent. As such, it is not typically employed as a stoichiometric substrate, catalyst, or solvent in synthetic transformations.

Research application contexts

• Use as a reference compound or tool molecule in target/pathway interrogation, SAR benchmarking, assay validation, and orthogonal method development (e.g., potency readouts across biochemical and cellular formats).
• Can serve as a positive control for method qualification in LC–MS bioanalytical workflows (retention time, response factor), provided an authentic reference is established from the CoA.

Assay development considerations

• Establish concentration–response curves with appropriate vehicle controls and replicate counts; confirm signal window and Z’-factor where applicable.
• Evaluate time-dependence, reversibility, and potential aggregation or fluorescence interference using counterscreens.

Note

• If you require this compound for chemical synthesis (derivatization, linker installation), contact Technical Support for availability of analogs, protected forms, or building-block derivatives. Without item-specific reactivity data, no transformation guidance is provided here.

Reaction Conditions

Not typically applicable. GDC-2394 is provided as a finished small molecule for biological studies rather than as a reagent or substrate for chemical reactions.

If you must manipulate the compound chemically (general guidance only)

• Conduct small-scale feasibility tests to evaluate stability under planned conditions (acid/base, oxidative/reductive, thermal, photolytic).
• Use inert atmosphere and anhydrous solvents if sensitive functionalities are suspected, and monitor by LC–MS for degradation.
• Purification: Reverse-phase HPLC is commonly used to purify bioactive small molecules; select gradients and modifiers compatible with your analytic detection.

Analytical conditions (general)

• LC–MS: Water–acetonitrile with 0.1% formic acid is a common starting point. Optimize gradient and column chemistry empirically.

No item-specific reaction, stability, or yield data are available; consult the CoA/SDS and perform pilot studies as needed.

Safety and Handling

Hazard information provided for this item is limited. Always consult the SDS for authoritative guidance prior to use.

GHS and labeling (item-specific)

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

General laboratory precautions (good practice)

• Personal protective equipment: lab coat, safety glasses, and appropriate chemical-resistant gloves. Use within a fume hood to avoid inhalation of dust or solvent vapors during solution preparation.
• Avoid contact with skin and eyes; prevent aerosolization and ingestion. Wash thoroughly after handling.
• Storage incompatibilities: Keep segregated from strong oxidizers and strong acids/bases unless compatibility is confirmed. Protect from moisture if hygroscopic and from light if the compound is photosensitive (check CoA/SDS for item-specific notes).
• Spill/first aid: In case of skin contact, wash with soap and water; for eye contact, rinse cautiously with water for several minutes and seek medical attention. For inhalation, move to fresh air. For ingestion, seek medical attention—do not induce vomiting unless directed by medical personnel. Refer to SDS for full procedures.
• Waste disposal: Collect solutions/solids as hazardous organic waste per institutional and regional regulations.

Special risks

• Bioactive screening compounds can have potent biochemical activity; minimize exposure and handle at the smallest practical scale.

Solvent Selection

Item-specific solubility data are not provided; verify experimentally for your application. The following guidance reflects common practices for small‑molecule bioactives.

Primary stock solvent

• DMSO is the default solvent for discovery compounds due to broad solvating power and compatibility with biochemical and cell-based assays. Typical lab practice is to prepare 10–50 mM stocks and store in tightly sealed, low-bind vials at −20 to −80°C.

Aqueous dilution

• Dilute DMSO stocks into assay buffer or media immediately before use. Maintain final DMSO below assay‑tolerated levels (often 0.1–0.5% v/v for sensitive cells, up to 1–2% v/v for robust systems). Include DMSO vehicle controls.

Alternative co-solvents

• If DMSO alone is insufficient: consider DMF or NMP for intermediate concentrates, followed by DMSO and aqueous dilution. Validate assay compatibility.
• For analytical prep (HPLC): use acetonitrile or methanol with water/buffer; check UV cutoff and detector linearity.

Practical tips

• Warm gently to ambient and vortex/sonicate to aid dissolution; avoid prolonged heating.
• Inspect for precipitation after dilution; if present, reduce concentration, adjust pH/ionic strength, or include acceptable solubilizing excipients (e.g., low-level nonionic surfactant) if assay permits.

Comparison (general)

• DMSO vs DMF: DMSO is usually preferred for bioassays due to lower volatility and better biological tolerance; DMF may improve solubility but can be more cytotoxic.

Storage and Reconstitution

Item-specific conditions

• Storage temperature: Store at −80°C (as provided in Product Data).
• Shipping: Shipped on dry ice packs + cold packs to maintain low temperature during transit.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.

Reconstitution (general guidance for small molecules)

• Solvent choice: Dry DMSO is commonly used for initial stock solutions. If alternative solvents are needed (e.g., DMF, ethanol), validate solubility and assay compatibility.
• Concentration: Prepare a convenient concentration for your workflow (e.g., 10–50 mM) and record exact values.
• Technique: Allow container to equilibrate to room temperature in a desiccated environment before opening to prevent moisture condensation. Add solvent, vortex/sonicate briefly until dissolved.

Aliquoting and stability

• Prepare single-use aliquots in inert, low-bind, amber containers to minimize adsorption, photolysis, and freeze–thaw. Store aliquots at −80°C, protected from light.
• Freeze–thaw: Minimize cycles; thaw quickly at room temperature or on ice, use immediately, and refreeze only if stability data support it.

Shelf life

• Retest date/expiry, and any stabilizer presence: Not specified for this item; refer to CoA/Spec Sheet.

Important

• For research use only. Always consult the SDS for handling hazards and the CoA for lot-specific quality attributes before first use.

Structure and Identity

GDC-2394 is supplied as a Moligand–grade small molecule intended for research screening and mechanistic studies.

Item-specific identifiers

• CAS: 2238822-07-4
• 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.
• InChI / InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• PubChem CID: Not specified for this item; refer to CoA/Spec Sheet.

Structural description

• Functional groups, ring systems, stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.

Notes

• This product is part of Aladdin’s small-molecule and compound library (Moligand). If you require exact structural data (2D depiction, atom connectivity, stereochemical descriptors) to support docking, QSAR, or analytical confirmation, request the current Certificate of Analysis (CoA) and Structure Package (where available).

Synthetic Utility

This item is supplied as a defined small molecule for use as a bioactive/tool compound and is not typically employed as a building block or reagent in organic synthesis.

What this means for chemists

• Derivatization: Without disclosure of functional groups and protecting group strategies for this specific structure, no reliable guidance can be provided on late-stage modification or linker installation. If you intend to prepare analogs, request structural information and consider route scouting with publicly available literature as applicable.
• Stability: Reaction compatibility (acid/base, redox, metal-catalyzed conditions) is unknown for this item; avoid assuming robustness to typical synthetic conditions without dedicated testing.

Alternative approaches

• If your objective is to generate conjugates or SAR around this scaffold, inquire about building-block variants or key intermediates (e.g., halogenated cores, boronates, amines/acids) that are better suited for cross-coupling or amide bond formation.

Bottom line

• Treat GDC-2394 as a finished tool compound. For synthetic applications, select purpose-built building blocks with known reactivity profiles to ensure predictable outcomes.

Target Specificity

No target, pathway, or selectivity data are provided for this catalog entry.

• Target name/class: Not specified for this item; refer to CoA/Spec Sheet or contact Technical Support.
• Species selectivity: Not specified for this item; refer to CoA/Spec Sheet.
• Assay-validated applications: Not specified for this item; refer to CoA/Spec Sheet.

Note: Users should verify biological activity and target engagement in their own systems with appropriate positive/negative controls and orthogonal assays.

자주 묻는 질문

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 2238822-07-4, the molecular formula is C20H25N5O4S, and the molecular weight is 431.51 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.