MTHFD2-IN-3 , CAS No.M1442630

CAS: M1442630 Cat. No.: M1442630 Fórmula: C₂₂H₁₉NO₇S Peso molecular: 441.45

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

MTHFD2-IN-3 (compound 10) is a potent methylenetetrahydrofolate dehydrogenase (MTHFD2) inhibitor.

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Tipo de acción

INHIBITOR

Nombres e identificadores

• Peso molecular: 441.45

Application Protocols

Only information from Product Data may be listed here. No tested applications or protocol parameters are provided for this item.

• Suggested starting point (general, non-item-specific): Prepare a verified concentration stock in an appropriate solvent (often DMSO), perform a small solubility/stability test in your assay matrix, then construct a dilution series (e.g., 10-point, 3-fold) with matched vehicle controls.
• Record lot number, stock concentration (by weight and, if possible, by quantitative NMR or UV with an extinction coefficient), and final vehicle percentage across all wells.

For item-specific application conditions, refer to the CoA/Spec Sheet or contact technical support with your SKU and lot number.

Biological Roles

No biological function, pathway, or endogenous role is specified for this catalog item. It is supplied strictly as a research chemical.

General context (non-item-specific)

• Chemical probes are used to perturb biochemical pathways in vitro or in cellular systems to generate testable hypotheses about protein function. Properly validated probes are characterized by known identity, potency, selectivity, and a clear mechanism of action.
• For any research inhibitor, orthogonal confirmation of target engagement (e.g., thermal shift/DSF, CETSA, enzymology) and selectivity profiling against related targets are critical to interpret biological results.
• Consider absorption of small molecules to plastics, serum protein binding, and metabolic or chemical instability when moving from biochemical assays to cells.

Caution

• The product name suggests an intended research focus; however, item-specific target, potency, and selectivity data are not provided here. Do not infer biological effects without generating your own experimental evidence or consulting validated third-party data.

Buffer Applications

This product is a research small molecule, not a buffer component. No item-specific buffer system applicability is provided.

General guidance (if preparing assay dilutions)

• For aqueous assays, prepare a concentrated stock in an appropriate solvent (often DMSO), then dilute into your assay buffer (e.g., HEPES, PBS) maintaining a constant final solvent percentage across wells.
• Verify compound stability and precipitation behavior in the chosen buffer and at the assay temperature and pH.
• If the compound is supplied as an acid or base salt, buffer capacity and ionic strength may influence solubility and activity; optimize accordingly.

Green Alternatives

Without item-specific synthesis or solvent requirements, recommendations below are general principles for greener handling and use of research small molecules.

• Stock solutions: Prefer water or buffered aqueous vehicles when chemically feasible (e.g., if supplied as a suitable salt), to reduce reliance on high-toxicity solvents. If organic cosolvents are necessary, minimize DMSO/DMF percentage consistent with assay performance.
• Solvent hierarchy (general): Favor ethanol, isopropanol, ethyl acetate, MEK, or acetone over DMF/NMP whenever compatible with solubility and assay constraints. Avoid chlorinated solvents unless essential for analytical methods.
• Waste minimization: Prepare concentrated master stocks and aliquot to reduce repeated dissolutions and waste. Use microscale assay formats and acoustic dispensing to minimize DMSO consumption.
• Energy and storage: Store at the lowest temperature necessary for stability (here: −20°C specified). Avoid unnecessary deep-cold shipping by consolidating orders and selecting temperature-control options aligned with true stability needs.

Illustrative comparison (general)

• DMSO vs ethanol: DMSO offers broader solubility but has higher environmental persistence; ethanol is greener but may not dissolve highly lipophilic compounds and can affect some assay readouts.

Note: No item-specific greener synthetic route or solvent replacement data are available. Evaluate your particular application for feasible substitutions aligned with green chemistry metrics (E-factor, solvent selection guides).

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing use is specified for this item. It is supplied for research use only.

General notes (non-clinical)

• Small-molecule research compounds may sometimes be explored in formulation feasibility studies (e.g., solubilization screens, salt screening) purely for preclinical research. Such work should document compound form (free base/acid vs. salt), polymorph, and stability.
• Do not use in humans or for diagnostic purposes. No GMP status or clinical suitability is implied or provided.

Physical Properties

Item-specific physicochemical data were not provided in the Product 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 specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable/unknown for solids; 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.
• pKa(s): Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/general)

• Many research inhibitors are neutral or weakly basic heteroaromatics with good solubility in polar aprotic solvents (e.g., DMSO, DMF) and limited aqueous solubility at neutral pH. Salt formation or co-solvent systems (DMSO→buffer dilution) are commonly used to prepare assay stocks.
• If the compound contains ionizable centers, aqueous solubility can vary strongly with pH; measure solubility and stability at assay-relevant pH prior to screening. Thermal behavior (DSC/TGA) and polymorph can impact handling and formulation.
• UV absorbance spectra (200–400 nm) are often recorded for QC and analytical method development; if performing HPLC-UV, determine λmax experimentally for your lot.

Quality and Grades

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

Interpretation and implications (general guidance)

• For small-molecule screening tools, purities of ≥95% (HPLC/UV) are commonly targeted to reduce assay artifacts from impurities. If a specific chromatographic method or wavelength is used to report purity, review the method details on the CoA.
• Residual solvent, water content (KF), and counter-ion content (for salts) can influence mass-based dosing and biological assay reproducibility. If not specified, consider confirming by GC/HSS, Karl Fischer, and ion chromatography where critical.
• If a stabilizer or specific form (free base vs. salt, solvate, polymorph) is relevant, it should be stated on the label/CoA. None were provided here; verify the exact form before preparing stock solutions.

Batch documentation

• Always record the lot/batch number, analytical method used for purity, and any salt/solvate information for reproducibility and data integrity in screening campaigns.

Reaction and Applications

Manufacturer application details were not provided. Given the product name and category (small molecule/compound library), this item is intended for research use as a chemical probe or screening compound.

General applications for small-molecule research tools (non-item-specific)

• Target engagement studies: biochemical or biophysical assays (e.g., enzyme activity, thermal shift, SPR) to explore structure–activity relationships. Validate identity, purity, and concentration prior to testing.
• Cell-based assays: pathway modulation readouts, with careful controls for cytotoxicity, off-target effects, and DMSO tolerance. Confirm compound stability in culture media over assay time.
• Profiling: pan-assay interference checks (PAINS), redox activity, aggregation propensity (detergent sensitivity), and fluorescence interference screens help de-risk artifacts.

Assay development tips

• Establish a robust dilution scheme from a verified stock concentration; use independent orthogonal readouts where possible.
• Include vehicle controls at matched DMSO content; consider counter-screens to characterize selectivity.
• Confirm dose–response reproducibility across lots and after storage to detect degradation.

Note: No specific mechanism, target potency, or selectivity data are provided for this item; consult the CoA/specification sheet or primary literature if available. Use is restricted to research applications only.

Reaction Conditions

Not applicable. This item is supplied as a research small molecule for biological/biochemical studies rather than as a reagent for synthetic transformations.

If using in assays (general guidance)

• Stock preparation: Often 10–50 mM in DMSO; confirm actual solubility and stability for this item.
• Assay temperature: Follow your biological assay protocol; typical ranges are ambient to 37°C. Verify thermal stability over the incubation period.
• Light and pH: If the scaffold includes photolabile or acid/base-sensitive groups (unknown here), protect from light and avoid extreme pH during dilutions.

No item-specific catalysts, reaction times, or yields are relevant.

Safety and Handling

Hazard classification details were not provided for this item; consult the SDS for authoritative information.

• GHS classification, signal word, pictograms, H-statements: Not specified for this item; refer to SDS.
• Likely hazard profile (general guidance): Small-molecule research compounds may cause skin/eye irritation and may be harmful if swallowed or inhaled. Treat as a substance of unknown toxicity.

PPE and engineering controls (general best practices)

• Wear lab coat, safety glasses, and appropriate chemical-resistant gloves. Handle powders in a fume hood to minimize inhalation exposure. Avoid contact with skin and eyes; avoid aerosolization and dust formation.
• Use dedicated spatulas and weigh boats to avoid cross-contamination of screening libraries.

Handling notes

• Avoid prolonged exposure to ambient heat, humidity, or light unless stability data indicate tolerance. Close containers promptly after opening; purge with inert gas if stability to air/moisture is uncertain.
• Incompatibilities are structure dependent; in absence of data, store away from strong oxidizers, strong acids/bases, and reactive reducing agents.

First aid (overview; defer to SDS)

• Skin/eyes: Rinse with water for at least 15 minutes; remove contaminated clothing. Seek medical attention if irritation persists.
• Inhalation: Move to fresh air; obtain medical attention if symptoms occur.
• Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.

Waste disposal

• Collect as organic laboratory waste; dispose according to institutional and regulatory requirements.

Solvent Selection

Item-specific solubility data are not provided; the following are general, literature-based practices for research tool compounds.

• Primary stock solvent: Dimethyl sulfoxide (DMSO) is commonly used at 10–50 mM for small molecules; verify actual solubility and stability for this item before use.
• Co-solvent systems: For aqueous assays, prepare a concentrated DMSO stock and dilute into buffered media to a final DMSO content typically ≤0.5–1% v/v, unless assay tolerance is known to be higher.
• Alternative solvents (general): DMF, NMP, ethanol, methanol, or isopropanol may be suitable. For lipophilic solids, small amounts of PEG400, Tween 80, or cyclodextrins can assist solubilization for in vitro work. Confirm compatibility with your assay readout.

Polarity and miscibility (general)

• DMSO, DMF, and NMP are polar aprotic and fully miscible with water and most organics, offering broad solubilization capability. Alcohols are protic and can affect hydrogen-bonding interactions in assays; evaluate controls accordingly.

Practical tips

• Assess precipitation after dilution by visual inspection and, if needed, nephelometry or light scattering.
• Evaluate freeze–thaw stability of DMSO stocks; aliquot to minimize cycles.
• If the compound is supplied as a salt, water or buffer solubility may be higher; confirm the exact form on the CoA.

Storage and Reconstitution

Storage

• Storage conditions (from Product Data): Store at −20°C.
• Shipping (from Product Data): Shipped in ice chest with ice pads.
• Protect from moisture and light in a tightly closed container. Allow vials to equilibrate to room temperature in a desiccator before opening to prevent condensation ingress.

Reconstitution

• Item-specific solvent and concentration limits: Not specified for this item; refer to CoA/Spec Sheet.
• General practice for small-molecule research tools: Dissolve in anhydrous DMSO to make a concentrated stock (e.g., 10–50 mM), then aliquot into low-bind tubes. If aqueous stocks are needed, evaluate solubility and stability, and consider pH adjustment or co-solvents.

Stability and handling

• Minimize freeze–thaw cycles by preparing single-use aliquots. For DMSO stocks, store at −20°C or below; thaw at room temperature and vortex to ensure homogeneity. Monitor for precipitation or color change over time.
• Record preparation date, solvent, and concentration on each aliquot. Periodically re-evaluate purity by LC–MS/HPLC if stocks are stored for extended periods.

Research use note

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

Structure and Identity

• Product name: MTHFD2-IN-3 (research small molecule)
• SKU: M1442630
• CAS: Not specified for this item; refer to CoA/Spec Sheet. (Note: the string provided is a SKU, not a CAS RN.)
• 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 description

• Item-specific structural features (ring systems, heteroatoms, stereocenters) are not available in the provided data. Please consult the certificate of analysis (CoA) or specification sheet for definitive identifiers suitable for registration, LIMS import, or analytical tracking.

General notes for identification (literature/general guidance)

• For small-molecule chemical probes, the following are typically used to confirm identity and purity: 1H/13C NMR, HRMS/ESI-MS, HPLC (UV/ELSD), and, when relevant, chiral HPLC. If provided, SMILES/InChI enable unambiguous structure exchange and computational use (QSAR, docking, inventory checks).
• If you plan to use this item in screening collections, ensure you have: canonical SMILES, InChIKey, batch number, and purity value on record for each lot.

Synthetic Utility

This product is intended as a finished small-molecule research tool rather than a synthetic building block. No functional-group specification or reactivity information is provided for use as a reagent.

General considerations (if derivatization is desired)

• In the absence of a disclosed structure, route scouting, functional group compatibility, and protection strategies cannot be advised. If you plan to derivatize for SAR or tagging, request structural identifiers (SMILES/InChI) and confirm functional handles present on the scaffold.
• For analytical tracking during any modification work, establish robust methods (HPLC, LC–MS, NMR) and reference standards. Record batch provenance to correlate activity with structure unambiguously.

Target Specificity

Only information from Product Data may be listed here.

• Declared target/antigen: Not specified for this item; refer to CoA/Spec Sheet.
• Selectivity profile: Not specified for this item; refer to CoA/Spec Sheet.
• Species reactivity/orthologs: Not specified for this item; refer to CoA/Spec Sheet.
• Assay validation data: Not specified for this item; refer to CoA/Spec Sheet.

Note: Although the product name contains an apparent target hint, no validated specificity data are provided in the supplied Product Data.