MT-4 - Moligand™, 10 mM in DMSO , CAS No.2327925-35-7

CAS: 2327925-35-7 Cat. No.: M1495898 分子式: C₂₁H₂₃N₅O 分子量: 361.44

グレード＆純度 Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

MT-4 blocks the TG2/FN complex at the interface between cancer cells and the tumor niche. MT-4 inhibits the adhesion of ovarian cancer (OC) cells to the peritoneum.

仕様

仕様と純度

Moligand™, 10 mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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等級

Moligand™

名前と識別子

分子量

361.44

Application Protocols

The following outlines common handling for small-molecule library members in research screening. Adjust to your assay and consult the CoA/Spec Sheet for any item-specific instructions.

• Stock preparation (general)

  • Warm vial to room temperature in a desiccated environment. If solid, rapidly weigh under low humidity.
  • Prepare a primary DMSO stock at a convenient concentration (e.g., 10–50 mM; choose based on solubility and assay DMSO tolerance). Mix with vortexing and brief sonication if needed. Filter through 0.2 µm PTFE if particulate persists.
  • Verify concentration by UV–Vis (if chromophore and ε known) or by quantitative 1H NMR with an internal standard.

• Aliquoting and storage

  • Dispense single-use aliquots (10–50 µL) into low-binding tubes or plates; store at −80 °C under inert headspace if possible. Avoid repeated freeze–thaw.

• Assay dosing

  • Thaw an aliquot on ice, briefly spin to collect condensate, and dilute into assay buffer to the desired final concentration, keeping DMSO ≤0.1–1% v/v as permitted.
  • For cell assays, pre-check cytotoxicity of solvent vehicle and ensure osmolarity/pH are maintained.

• Controls and QC

  • Include vehicle controls, positive/negative reference controls, and a precipitation check (visual inspection or nephelometry) at working concentrations.

• Safety

  • Handle all solutions in a fume hood with appropriate PPE. Dispose according to institutional chemical-waste procedures.

Biological Roles

• Item-specific

  • Biological target(s), mechanism of action, and pathway roles: Not specified for this item; refer to CoA/Spec Sheet or screening documentation.

• General guidance for library molecules

  • As a Moligand™ small-molecule entry, MT-4 is intended for target-agnostic or target-based screening in biochemical, biophysical, or cellular assay formats.
  • Typical discovery workflows include primary screening, confirmation assays, basic physicochemical profiling (solubility, permeability, stability), and orthogonal counter-screens to identify assay interference.
  • If activity is observed, follow up with secondary assays (e.g., SPR, DSF, MST for binding; cell-based phenotypic assays for functional response) and initial ADME profiling (microsomal stability, plasma protein binding) as appropriate for research.

• Cautions

  • Avoid over-interpreting single-point readouts; evaluate concentration–response, Hill slope, and potential aggregation (detergent sensitivity, light scattering) to exclude false positives.
  • Screen for redox- or covalency-driven artifacts if chromophores/electrophiles are present (once structure is known).

Note: All uses are for research only. No clinical/diagnostic claims are made or implied.

Buffer Applications

This product is a small-molecule library member and is not itself a buffering agent.

• Item-specific

  • Buffering capacity, pKa(s), and recommended buffer systems: Not specified for this item; refer to CoA/Spec Sheet if relevant.

• Practical note

  • Select assay buffers based on the biological target (e.g., HEPES 7.2–7.6, PBS 7.2–7.4, Tris 7.5–8.5) and compound stability/solubility. Validate that final DMSO or co-solvent levels do not perturb buffer pH or assay readout.

Green Alternatives

When preparing stocks and assay solutions for MT-4, consider greener solvent choices where compatible with solubility and assay performance.

• Greener solvent hierarchy (general guidance)

  • Prefer: water, ethanol, isopropanol, acetone, ethyl acetate (where compatible).
  • Use with care: acetonitrile, methanol, 2-propanol/water cosolvent systems.
  • Minimize: DMF, NMP, dichloromethane, dimethylacetamide due to environmental/health profiles.

• Comparison examples (literature/general)

  • DMSO vs alternatives: DMSO is ubiquitous for stocks but has disposal and odor concerns; ethanol or isopropanol may suffice for hydrophobic molecules when lower stock concentrations are acceptable.
  • Acetonitrile vs ethanol: Acetonitrile is more toxic and less sustainable; ethanol often provides adequate solubility and is preferred if the compound dissolves.

• Practical strategies

  • Start with ethanol or aqueous ethanol (e.g., 20–50% v/v) to test solubility before resorting to DMF/NMP.
  • Use the minimum DMSO percentage compatible with assay tolerance (often ≤0.1–1% v/v final).
  • Employ micro-dosing and sealed microplates to reduce solvent volumes and VOC emissions.

• Not specified for this item

  • No compound-specific solvent restrictions or stability concerns are provided; verify compatibility experimentally and consult the CoA/Spec Sheet.

Pharmaceutical Uses

No pharmacopeial status or excipient role is provided for this item.

• Item-specific

  • Pharmaceutical/formulation uses: Not specified for this item; refer to CoA/Spec Sheet.

• General statement

  • MT-4 is offered for research use only as part of a small-molecule library. Any consideration of formulation studies should remain within non-clinical research contexts (e.g., pre-formulation solubility/stability screening in vitro). No clinical or diagnostic applications are implied.

Physical Properties

• Item-specific (from Product Data)

  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.

• Literature/general notes (not product specifications)

  • For library molecules like MT-4, physical state is commonly a crystalline or amorphous solid, or a pre-dosed DMSO solution vial. Verify on receipt.
  • Initial solubility exploration typically starts with DMSO (miscible with water and many organics) followed by co-solvents (DMF, ethanol, PEG 400) and aqueous cosolvent systems if biological assays are planned.
  • If hygroscopicity or polymorphism is a concern, assess by dynamic vapor sorption and PXRD before long-term storage.

• Not provided in Product Data (do not treat as specifications)

  • Melting point, boiling point, density, refractive index, logP/logD, pKa, water content, and UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.

Practical tip: Prepare a small solubility screen (e.g., 10 mM targets) in DMSO, DMF, and ethanol at room temperature and at 37 °C; confirm concentration by UV–Vis or quantitative 1H NMR where applicable.

Quality and Grades

• Item-specific (from Product Data)

  • Grade: Moligand™

• What Moligand™ implies (general description; not a specification)

  • Moligand™ items are positioned as small-molecule library members suitable for discovery workflows (e.g., primary HTS, fragment or ligand screening, and follow-up SAR). Documentation such as CoA/Spec Sheet typically provides identity confirmation (e.g., LC–MS) and purity assessment.
  • Exact analytical methods, acceptance criteria, stabilizers, and impurity limits are not provided here. Refer to the CoA/Spec Sheet for the batch-specific details.

• Quality considerations for library compounds (general guidance)

  • Identity: Verify by orthogonal methods where possible (LC–MS + NMR/HRMS).
  • Purity: Assess by LC–UV/ELSD/MS across multiple wavelengths; consider chiral purity if stereocenters are present.
  • Stability: Monitor for hydrolysis/oxidation using time-course LC–MS, especially if the structure contains labile motifs (esters, aldehydes, anilines, thioethers, etc.).
  • Assay interference: Screen for PAINS/reactive substructures as part of QC-in-use.

• Not provided for this item

  • Exact purity %, residual solvents, water content, metal content, and UV-cutoff: Not specified for this item; refer to CoA/Spec Sheet.

Reaction and Applications

• Item-specific note

  • MT-4 is supplied as a small-molecule library member for research screening. It is not primarily positioned as a synthetic reagent in the Product Data.

• Applicability to chemical reactions

  • Without disclosed structure/functional groups, recommending reaction classes (e.g., cross-coupling, condensations) is not appropriate.

• Practical guidance (general)

  • If MT-4 is to be used in chemical transformations (e.g., for probe derivatization), first confirm functional-group compatibility via small-scale scouting and characterize by LC–MS/NMR.
  • Consider protecting-group strategies if labile moieties are present (esters, aldehydes, anilines). Optimize reaction solvents based on preliminary solubility screens (see Solvent Selection tab).

• For most users

  • Primary use is expected to be biochemical or cell-based screening, target deconvolution, or SAR exploration once structure is known. See Application Protocols for stock preparation and dilution practices.

• Not specified for this item

  • Named reactions, catalysts, or specific synthetic applications are not provided; refer to literature after structural disclosure.

Reaction Conditions

Not typically applicable. MT-4 is provided as a small-molecule screening library member, and no synthetic reaction usage or conditions are specified in the Product Data.

• Item-specific

  • Reaction conditions, catalysts, or temperatures: Not specified for this item; refer to CoA/Spec Sheet.

• If derivatization is attempted (general guidance)

  • Select solvent and base/acid based on experimental solubility and functional groups (once known). Begin with micro-scale scouting (e.g., 0.5–5 mg) and monitor by LC–MS.
  • Employ inert atmosphere and anhydrous conditions if moisture-sensitive motifs are suspected.
  • Purify with flash chromatography or preparative LC; confirm identity and purity by orthogonal methods prior to biological testing.

Safety and Handling

• Item-specific (from Product Data)

  • GHS Classification, Signal Word, H-Statements, and Pictograms: Not specified for this item; refer to SDS.
  • Storage: Store at −80 °C.
  • Shipping: Shipped on dry ice packs + cold packs.

• General laboratory precautions (not product-specific safety classifications)

  • Use appropriate PPE: lab coat, safety glasses, and nitrile gloves.
  • Handle powders and stock solutions in a fume hood to avoid inhalation/dermal exposure.
  • Avoid repeated freeze–thaw; aliquot upon first thaw to maintain integrity.
  • Allow frozen vials to equilibrate to ~−20 °C before opening to minimize moisture condensation; then warm to room temperature.
  • Segregate from strong oxidizers and acids/bases until compatibility is known. Avoid contact with ignition sources when using organic solvents.

• First-aid overview (consult SDS for authoritative guidance)

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

• Waste and decontamination

  • Dispose according to local regulations; treat solutions as organic chemical waste. Decontaminate surfaces with appropriate solvent followed by detergent/water.

Always consult the product-specific SDS and your institution’s EH&S policies before use.

Solvent Selection

Because structure is undisclosed here, solvent selection should follow a pragmatic solubility screen tailored to discovery assays.

• Primary stock solvent (general guidance)

  • DMSO: Widely preferred for screening stocks due to broad solubilizing power and aqueous miscibility.
    • Literature properties: high polarity/proticity index; fully miscible with water and most organics; bp 189 °C; dielectric constant ~47 (literature).

• Secondary solvents for recalcitrant solutes (general guidance)

  • DMF or NMP: High-boiling, polar aprotic; good for difficult solids. Ensure thorough removal before biology where feasible.
  • Ethanol or isopropanol: Useful for co-solvent systems (e.g., 5–20% v/v in buffers) if compound is alcohol-soluble.
  • Acetonitrile: Volatile, polar aprotic; compatible with many analytical methods.
  • PEG 400: For high-concentration intermediates or formulation screens; viscous, biologically tolerated at low levels.

• Aqueous workup for assays (general guidance)

  • Prepare concentrated DMSO stocks (e.g., 10–50 mM; choose based on solubility and assay DMSO tolerance) and dilute into assay buffer to ≤0.1–1% DMSO final.
  • If precipitation occurs upon dilution, include surfactants (e.g., 0.01–0.05% Tween-20) or raise temperature briefly, then re-check clarity.

• Not specified for this item

  • Specific solubility values, pKa, logP/logD: Not specified for this item; refer to CoA/Spec Sheet.

Tip: Document solvent lot, stock concentration verification (UV or qNMR), and visible precipitation checks for assay reproducibility.

Storage and Reconstitution

• Item-specific (from Product Data)

  • Storage Conditions: Store at −80 °C.
  • Shipped In: Dry ice packs + Cold packs.

• General guidance for reconstitution (not product-specific specifications)

  • Upon receipt, keep frozen. Allow vials to equilibrate to −20 °C before opening to reduce moisture ingress.
  • If supplied as a solid: Reconstitute initially in dry DMSO to prepare a concentrated stock suitable for subsequent dilution. Alternative solvents (DMF, ethanol) may be evaluated if DMSO is unsuitable for your assay.
  • If supplied in DMSO: Mix gently after thawing to homogenize; avoid vortexing if precipitate is present—warm slightly and sonicate briefly instead.
  • Aliquot into single-use portions to minimize freeze–thaw cycles; purge headspace with inert gas where feasible.

• Stability monitoring (general)

  • Track storage history and number of freeze–thaw events. Periodically check integrity by LC–MS/LC–UV.
  • Protect from light if chromophoric groups are suspected; store in amber containers.

• Not provided for this item

  • Aqueous stability, pH sensitivity, and long-term solution shelf life: Not specified for this item; refer to CoA/Spec Sheet.

Research use only. Consult the CoA/Spec Sheet and SDS for item-specific instructions and safety before use.

Structure and Identity

Brief description: MT-4 (SKU M1495898) is a Moligand™ small-molecule library member intended for research screening and discovery workflows.

• Item-specific (from Product Data)

  • Product Name: MT-4
  • SKU: M1495898
  • CAS: 2327925-35-7
  • 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.
  • SMILES: Not specified for this item; refer to CoA/Spec Sheet.
  • InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

• Structural features (general guidance)

  • The 2D/3D structure, functional groups, and stereochemistry are not disclosed in the Product Data. Consult the CoA/Spec Sheet for structural identifiers and confirm identity by your in-house orthogonal methods (e.g., HRMS, 1H/13C NMR, LC–MS retention time match to reference).

Synthetic Utility

• Item-specific

  • Functional groups and derivatization handles: Not specified for this item; refer to CoA/Spec Sheet.

• General guidance

  • If used as a starting point for probe development, assess functional-group compatibility and potential points of attachment by NMR/HRMS once structure is available.
  • Consider late-stage diversification tactics (amide coupling, Suzuki cross-coupling, reductive amination, click chemistry) where applicable to generate SAR around MT-4 for research only.

• Limitations

  • Without disclosed structure, no specific named-reaction recommendations or protecting-group strategies can be responsibly provided.

Target Specificity

• Item-specific

  • Target(s), pathway, species selectivity, and binding constants: Not specified for this item; refer to CoA/Spec Sheet or screening data.

• General note

  • Library compounds like MT-4 are typically screened broadly; any target specificity must be experimentally determined by the user using binding/functional assays and orthogonal confirmation methods.