MSC2504877 - Moligand™, 10 mM in DMSO , CAS No.1460286-21-8

CAS: 1460286-21-8 Cat. No.: M1495554 분자식: C₁₇H₁₈N₂O₂ 분자량: 282.34

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

MSC2504877 (M2912) is a potent and orally active tankyrase inhibitor with IC 50 s of 0.0007, 0.0008, 0.54 µM for TNKS, TNKS2, PARP1 , respectively. MSC2504877 increases the expression of AXIN2 and TNKS protein levels and decreases β-catenin levels. MSC2504877 shows anti-tumor activity.

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: 282.34

Application Protocols

Not applicable

• No tested applications (e.g., WB, IHC, IF, FC) or recommended dilutions are relevant to this small-molecule library compound.

General handling for screening workflows (informative only)

• Prepare DMSO stock (e.g., 10 mM) under dry conditions, vortex/sonicate as needed, and sterile-filter if required by your assay (compatible with solvent and solute stability).
• Dispense into low-binding plates or tubes to reduce adsorption; seal and store at subzero temperatures per storage guidance.

Item-specific application protocols: Not specified for this item; refer to CoA/Spec Sheet.

Biological Roles

Item-specific facts (from Product Data)

• No biological role, target class, or pathway annotations are provided for this item.

General notes

• As a library compound, MSC2504877 may be used to probe biological systems in research settings, but no mechanism-of-action, target specificity, or phenotype is claimed or implied by the listing.
• Any observed activity should be considered preliminary until validated by orthogonal assays and structure-confirmed retesting. Evaluate liabilities such as aggregation (PAINS-like behavior), covalency, redox activity, or fluorescence interference using appropriate counterscreens.
• For biophysical binding measurements, match DMSO content in sample/reference and confirm compound integrity by LC–MS prior to testing.

Important

• No medical, diagnostic, or therapeutic use is claimed. For research use only (as stated in Product Data).
• For definitive biological annotations, consult your screening results and follow-up characterization; none are specified for this SKU.

Buffer Applications

Not typically applicable

• This item is a small-molecule library member, not a buffering agent. No buffer system, pKa, or buffering range is specified.

General lab practice (if used in aqueous assays)

• Prepare concentrated DMSO stocks, then dilute into assay buffers (e.g., HEPES, PBS, Tris) ensuring consistent final DMSO across wells.
• Include mild nonionic surfactant (e.g., 0.01–0.05% Tween-20) if compound aggregation or adsorption to plastics is suspected.

Item-specific buffer data: Not specified for this item; refer to CoA/Spec Sheet.

Green Alternatives

Context

• This product is a small-molecule library member, not a bulk solvent or reagent. Greener considerations mainly affect solvent choices for stock preparation, plating, and any optional synthesis.

Greener handling choices (general guidance)

• Prefer aqueous assay buffers with minimal DMSO where feasible (0.1–0.5% v/v), validated for target compatibility.
• Consider ethanol or water/ethanol mixtures as cosolvents in biological assays when compatible, reducing reliance on amide solvents.
• For optional synthetic work, favor greener ethers (2-MeTHF) or cyclopentyl methyl ether (CPME) over chlorinated solvents when reaction scope allows (literature guidance).

Tradeoffs (general, literature-based)

• DMSO: High boiling point and excellent solvency; difficult solvent recovery and potential target interference at higher percentages.
• Ethanol: Renewable and low toxicity; narrower solubility window for highly lipophilic molecules.
• 2-MeTHF/CPME vs THF/Et2O: Lower peroxide formation rates and improved sustainability metrics; may alter reaction rates/selectivities and water miscibility.

Operational tips

• Reduce plate dead volumes and use low-evaporation seals to minimize solvent waste.
• Centrally manage make-up solutions and consolidate freeze–thaw cycles to limit discard volumes.

Item-specific greener data: Not specified for this item; refer to CoA/Spec Sheet.

Pharmaceutical Uses

Not applicable for this listing

• This product is supplied for research use only; no pharmacopeial status, GMP grade, or excipient/formulation role is specified.

General notes

• Library compounds may serve as reference materials or internal research standards in discovery laboratories. Any use in regulated manufacturing would require separate qualification and documentation not provided here.

Item-specific regulatory/formulation information: Not specified for this item; refer to CoA/Spec Sheet.

Physical Properties

Item-specific facts (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/computed values (not item-specific)

• Without a disclosed structure, properties such as melting point, boiling point, density, logP, pKa, refractive index, and aqueous/organic solubility cannot be enumerated for this item.

General chemistry knowledge (how to approach when structure is undisclosed)

• For screening-library solids, DMSO is commonly used to prepare 10–50 mM stocks; final assay DMSO is often kept at 0.1–1% v/v to minimize solvent effects.
• Preliminary solubility checks can be performed by serial dilution in DMSO, followed by dilution into assay buffer containing 0.01–0.05% nonionic surfactant (e.g., Tween-20) to mitigate aggregation (general practice).
• If hygroscopicity or polymorphism is a concern, verify handling instructions and solid-state form on the CoA before weighing.
• For compounds prone to oxidation/hydrolysis, low-temperature storage (as specified for this item) helps maintain integrity between freeze–thaw cycles.

Quality and Grades

Item-specific facts (from Product Data)

• Grade/Purity: Moligand™ (screening-library grade)

What Moligand™ typically signifies (general description)

• Curated small-molecule library members intended for discovery screening, hit validation, and SAR exploration. Emphasis is usually on identity confirmation and suitability for DMSO stock preparation rather than chromatographic-grade solvent specifications.
• Documentation commonly provided: CoA including identity confirmation (often by LC–MS and/or NMR), purity by HPLC/UPLC, and recommended handling. For exact tests and acceptance criteria, refer to the CoA/Spec Sheet for this SKU.

Implications for use

• Analytical verification: Prior to critical studies, independently confirm identity/purity under your in-house method (orthogonal LC–MS or NMR), as many screening assays are sensitive to trace impurities or degradation.
• Batch traceability: Record lot numbers when plating compounds into assay-ready formats to ensure reproducibility.
• Stabilizers/additives: Not specified for this item; refer to CoA/Spec Sheet. If present, document their potential assay interference.

What is not specified for this item

• Water/peroxide/metal limits, UV cutoff, residual solvents, salt form, and specific purity percentage: Not specified for this item; refer to CoA/Spec Sheet.

Reaction and Applications

Item-specific facts (from Product Data)

• Manufacturer Applications: Not specified for this item.

General applications for library compounds (non-clinical, research use only)

• Primary use: Inclusion in screening decks for biochemical, biophysical, or cell-based assays to identify preliminary actives. Suitable for HTS, H2L, and SAR-by-catalog workflows.
• Plate formatting: Aliquot as DMSO stocks into 96/384-well plates under dry conditions to minimize water uptake. Seal plates (heat or adhesive) and store at subzero temperatures to reduce degradation.
• Orthogonal confirmation: Hits should be reconfirmed with freshly prepared solutions and counterscreens for assay interference (e.g., fluorescence quenching, redox activity, detergent-sensitive aggregation).
• Biophysical follow-up: If target-binding assays are employed (DSF/TSA, SPR, MST, NMR), ensure buffer composition and DMSO matching between sample and reference to prevent baseline artifacts.
• Analytical tracking: Monitor compound integrity by LC–MS before and after screening campaigns to catch hydrolysis/oxidation products.

Note: Specific reaction chemistry (e.g., cross-couplings, cycloadditions) cannot be detailed without a disclosed structure; if synthetic elaboration is intended, request the full structural dossier.

Reaction Conditions

Not applicable without structure

• No functional-group information is provided; therefore, recommended reagents, catalysts, temperatures, or expected yields cannot be supplied for this specific compound.

General best practices (when synthesizing or modifying related analogs)

• Select solvents considering green metrics where possible (2-MeTHF, CPME, MeCN, EtOH) and ensure water content control for moisture-sensitive steps.
• Use microscale scouting (0.01–0.05 mmol) to establish conditions before scale-up; employ DoE to map temperature, time, and catalyst/base ranges efficiently.
• Monitor reactions by LC–MS to track starting material consumption and identify side products early.

Item-specific reaction condition data: Not specified for this item; refer to CoA/Spec Sheet.

Safety and Handling

Item-specific facts (from Product Data)

• Storage conditions: Store at −80°C.
• Shipped in: Dry ice packs + Cold packs.
• GHS classification, signal word, pictograms, H-statements: Not specified for this item; refer to SDS.

General safety guidance (defer to SDS for authoritative data)

• Handle in a fume hood with standard PPE: lab coat, safety glasses, and appropriate chemically resistant gloves.
• Avoid inhalation, ingestion, and skin/eye contact. Prevent aerosols and dust formation during weighing.
• Library compounds may exhibit unknown biological activity; minimize exposure and practice good hygiene. Treat as potentially harmful.
• Incompatibilities: Until identity is confirmed, avoid strong oxidizers, strong acids/bases, and reactive reducing agents. Segregate from peroxidizers and sources of ignition.
• First aid (general): In case of skin/eye contact, flush with water for ≥15 min; if inhaled, move to fresh air; if ingested, rinse mouth. Seek medical attention in all cases. Provide the SDS to responders.
• Spill/accident: Contain with inert absorbent, collect as hazardous waste. Decontaminate surfaces and ventilate area.
• Waste: Dispose of according to institutional and local regulations for organic laboratory chemicals.

Always consult the item-specific SDS and CoA for definitive hazard and handling instructions.

Solvent Selection

Item-specific facts (from Product Data)

• No solvent recommendations are specified for this item; refer to CoA/Spec Sheet.

General guidance for small-molecule library members

• Primary stock solvent: DMSO is the de facto choice for screening stocks due to broad solubilizing power and assay compatibility. Typical stock concentrations: 10–50 mM.
• Aqueous compatibility: On dilution into biochemical buffers, maintain final DMSO at 0.1–1% v/v. Include detergents (e.g., 0.01–0.05% Tween-20) if aggregation is suspected.
• Alternative cosolvents (when needed): DMF or ethanol can be used for difficult solutes; confirm assay tolerance. For cell-based assays, ethanol is often preferred over DMF for cytocompatibility at low percentages.
• Pre-wetting trick: For highly hydrophobic solids, pre-wet with a minimal amount of DMSO before adding buffer to avoid precipitation.

Comparison (general, literature-based)

• DMSO vs DMF: DMSO offers lower volatility and better biocompatibility; DMF can solubilize extremely polar/charged species but may be more cytotoxic.
• DMSO vs ethanol: Ethanol has favorable volatility for plate drying but narrower solubility scope; use at ≤1% v/v in most cell assays.

Always confirm solvent compatibility with your assay system and consult the item’s CoA for any specific notes.

Storage and Reconstitution

Item-specific facts (from Product Data)

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

General guidance (not item-specific; verify with CoA/SDS)

• Upon receipt: Keep frozen. Minimize time at room temperature during inventory and plating.
• Aliquoting: Prepare small, single-use DMSO stock aliquots (e.g., 10–50 mM) to avoid repeated freeze–thaw. Use dry, inert conditions if the compound is moisture/air sensitive (status not specified).
• Freeze–thaw: Limit to a single thaw where possible. If multiple uses are required, store at −80°C in tightly sealed, low-permeability vials or heat-sealed plate wells.
• Thawing: Thaw on ice or at 4°C. Mix thoroughly (vortex/brief sonication) to ensure homogeneity before use. Inspect for precipitation or discoloration.
• Stability: No stability data are provided for this item; monitor integrity periodically by LC–MS or HPLC.

What is not specified for this item

• Exact solvent for reconstitution, recommended stock concentration, salt form, light/moisture sensitivity, and shelf life: Not specified for this item; refer to CoA/Spec Sheet.

Research Use Note

• For research use only.

Structure and Identity

Item-specific facts (from Product Data)

• SKU: M1495554
• Product Name: MSC2504877 (library member)
• CAS: 1460286-21-8
• Grade/Purity: 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.

Interpretive notes (general guidance)

• This listing belongs to a small-molecule/compound library collection (category: 小分子和化合物库). Structure descriptors (SMILES, InChI) and exact identity fields are typically provided on the Certificate of Analysis (CoA) or an accompanying SD file for informatics workflows.
• Without a supplied structure, functional-group annotations, ring systems, stereocenters, and 2D topology cannot be specified. Request the structure file (SDF/MOL) to enable cheminformatics tasks (substructure, similarity, and physicochemical profiling).

Synthetic Utility

Not fully assessable without structure

• No functional groups, protecting-group patterns, or reactive handles are provided for MSC2504877; therefore, specific synthetic transformations and retrosynthetic roles cannot be described.

General guidance for library-member modification (if structure becomes available)

• Typical derivatizations include amide coupling, Suzuki–Miyaura or Buchwald–Hartwig cross-couplings (for aryl halides/boronates), heteroatom alkylations/acylations, or late-stage C–H functionalization. Choice depends entirely on the disclosed scaffold and functional-group tolerance.
• For SAR expansion, maintain core scaffold integrity and vary substituents using parallel synthesis or microfluidic platforms; confirm identity/purity of analogs by LC–MS and NMR.

Item-specific synthetic notes: Not specified for this item; refer to CoA/Spec Sheet.

Target Specificity

Not applicable

• This listing is not an antibody, protein, or targeted biological reagent. No antigen/epitope, species reactivity, clone, or isotype information applies.

Item-specific target info: Not specified for this item; refer to CoA/Spec Sheet.