M4K2234 - ≥98% , CAS No.2421141-51-5

CAS: 2421141-51-5 Cat. No.: M651872 Formula: C₂₇H₃₁FN₄O₂ Molecular Weight: 462.56

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

M4K2234 (compound 26b) is an ALK2 inhibitor. M4K2234 inhibits ALK2 and ALK5 with IC 50 s of 5 and 2144 nM, respectively. M4K2234 can be used as a chemical probe for ALK1 and ALK2 protein kinases. M4K2234 can be used for the research of cancer

In Vitro

M4K2234 (0-5 μM) shows inhibitory effects against WT and DIPG-linked mutant forms of ALK2 with IC 50 s of 5, 3, 6 and 6 nM for WT, G328V, R206H and R258G, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

1.19 Pharmacokinetic Properties of M4K2234 in Mice . Mice PO 3 mg/kg C max (ng/mL) 1650 AUC inf (ng·h/mL) 4630 t 1/2 (h) 2.61 MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 5 nM (ALK2 WT), 3 nM (ALK2 G328V), 6 nM (ALK2 R206H), 6 nM (ALK2 R258G), 2144 nM (ALK5)

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

M4K2234 (compound 26b) is an ALK2 inhibitor. M4K2234 inhibits ALK2 and ALK5 with IC 50 s of 5 and 2144 nM, respectively. M4K2234 can be used as a chemical probe for ALK1 and ALK2 protein kinases. M4K2234 can be used for the research of cancer.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

Molecular Weight

462.56

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (216.19 mM; Need ultrasonic)

Application Protocols

No item-specific tested applications are provided. The following are general best practices for small-molecule screening compounds and are not product specifications.

• Stock solution preparation
  • Weigh quickly at ambient conditions to minimize moisture uptake. Record exact mass.
  • Prepare a 10–50 mM stock in anhydrous DMSO. Vortex and briefly sonicate to fully dissolve. If insoluble, incrementally add DMSO or warm gently (≤37°C).
  • Filter if necessary through 0.22 μm PTFE; confirm no adsorption losses.
• Plate handling
  • Dispense via acoustic or pin tools into assay plates; include vehicle controls matching the highest DMSO percentage used.
  • Seal plates with solvent-resistant, low-permeability films; minimize time at room temperature to reduce evaporation.
• Dilution into assay buffer/media
  • Titrate to final DMSO levels compatible with the assay (commonly ≤0.5% v/v biochemical; ≤0.1–0.5% v/v cellular). Mix gently to avoid localized supersaturation.
  • Inspect for precipitation; if observed, lower concentration, add compatible co-solvent, or extend mixing.
• Stability verification
  • Run a quick LC–MS/LC–UV of working solutions at T0 and post-assay to confirm chemical integrity.
• Data quality controls
  • Include positive/negative controls, a dilution series covering at least 8–10 points, technical replicates, and plate QC metrics (Z′ factor).

These protocols should be adapted to your assay platform and institutional EHS requirements.

Biological Roles

Item-specific biological roles, targets, or pathways are not provided for this compound.

• Known targets/pathways: Not specified for this item; refer to CoA/technical note if available.
• Endogenous role: None stated; as a synthetic small molecule, it likely has no established endogenous biological function.

General guidance for evaluating biological roles (not item-specific claims)

• MoA elucidation: If used in screening, follow up hits with orthogonal assays, counterscreens for assay interference (e.g., redox cycling, aggregation), and target engagement methods (CETSA, NanoBRET, SPR).
• ADME profiling: Assess solubility, permeability (PAMPA/MDCK), microsomal stability, and plasma protein binding to contextualize in vitro outcomes.
• Liability flags: Inspect structure (once available) for PAINS motifs, frequent hitters, covalent warheads, or metal-chelating groups that might cause promiscuous activity.

No medical or clinical claims are made. This product is for research use only, and any biological characterization should be performed and interpreted within appropriate laboratory and ethical frameworks.

Buffer Applications

This item is a small-molecule compound rather than a buffering agent. It does not define buffer capacity or pH range on its own. Nevertheless, practical buffer-related considerations apply when preparing assay solutions.

Practical guidance (general; not item-specific specifications)

• Stock preparation: Prepare concentrated stock in dry DMSO (e.g., 10–50 mM), then dilute into assay buffer. Maintain the final DMSO at a level validated for your assay (commonly ≤0.5% v/v for biochemical assays and ≤0.1–0.5% v/v for cell assays).
• Common assay buffers: HEPES (pH 7.2–7.5), PBS (pH 7.2–7.4), Tris (pH 7.4–8.0). Match pH/ionic strength to target biology to minimize compound protonation-state artifacts.
• Surfactants: To mitigate colloidal aggregation/precipitation, consider 0.01–0.05% Tween-20 or 0.01% Triton X-100 if compatible with the assay readout.
• Filtration: If particulate formation is observed after dilution, pass through a 0.22 μm low-protein-binding membrane; confirm no compound loss to the filter material.
• Light/oxygen sensitivity: Unknown for this item. When uncertain, use amberware and minimize exposure; purge buffers with inert gas if oxidative degradation is suspected.

Note: Buffer recipes and pH ranges above are general, literature-based guidance for small-molecule assays and are not specifications for this product.

Green Alternatives

Because this entry is a discrete screening compound rather than a solvent or reagent used in bulk processes, the concept of “green alternatives” is not directly applicable to the compound itself. However, greener choices can be made around its use—in particular, solvent systems and workflows.

Greener workflow considerations (general guidance)

• Solvent selection for assay preparation: Favor water-rich systems with minimal DMSO (≤0.5% v/v) where solubility allows. Consider biofriendly co-solvents (ethanol) over higher-toxicity options (DMF, NMP) when compatible with the assay.
• Miniaturization: Use low-dead-volume plates and acoustic dispensing to reduce solvent consumption and waste.
• Plate management: Employ low-permeability seals to reduce DMSO evaporation, limiting rework and waste.
• Waste segregation: Separate halogenated and non-halogenated organic waste; maximize aqueous-compatible protocols when feasible.

Illustrative comparison (guidance; not item-specific)

• DMF/NMP vs ethanol/water: Replacing high-boiling dipolar aprotics with ethanol/water mixtures can reduce toxicity and environmental burden, provided the compound remains soluble and stable.
• Photostability and light management: Using amber labware avoids photoinduced degradants that could necessitate re-preparation.

For process chemistry applications (if any), full structural disclosure is required to recommend greener synthetic routes or benign reagents. In the absence of structure, prioritize greener handling solvents and right-sized experiments.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing use is specified for this item.

• Regulatory status: Not specified for this item; refer to CoA/Regulatory Statement if available. Provided strictly for research use only.
• Formulation role: Not established. This compound is sold as a research chemical, not as a formulated excipient or API.

General R&D context (not item-specific claims)

• Preformulation screening: If pursued in discovery settings, characterize kinetic solubility (pH 2/6.5/7.4), lipophilicity (logD7.4), and stability (chemical and photostability) to inform suitable vehicles for in vitro work.
• Vehicle systems for in vivo research (where institutionally approved and compliant): Typically involve co-solvent systems (e.g., PEG400/EtOH/saline) or lipid-based carriers; however, no recommendation is made for this item without structural and safety data.

No clinical or therapeutic claims are made. This product is not intended for human or veterinary use and has no approved pharmaceutical applications as supplied.

Physical Properties

Item-specific physicochemical properties are not provided in the 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.
• Melting/boiling point: Not specified for this item; refer to CoA/Spec Sheet.
• Density, refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.

Practical guidance (general, literature-type considerations for library compounds; not item specifications)

• Solubility strategy: Begin with dry DMSO to prepare a 10–50 mM master stock, then dilute into assay buffer to ≤0.5–1% v/v DMSO final. If precipitation occurs, try co-solvents (acetonitrile, ethanol) or surfactant-containing buffers (0.01–0.05% Tween-20), subject to assay tolerance.
• Hygroscopicity/polymorphism: Unknown for this item. Minimize ambient exposure; weigh rapidly under low humidity. If solid is clumpy, gently grind before aliquoting.
• Salt/solvate state: Not provided; if the item is a salt, solubility and MW will differ from free base/acid. Verify exact form on CoA prior to dose calculations.
• Spectral characterization: If you require NMR/LC–MS traces for identity and purity verification, request the CoA package. These are authoritative for batch-specific properties.

Reminder: All numeric property values absent above are not specified for this item; consult the CoA/Spec Sheet for definitive data.

Quality & Grades

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Identity and purity confirmation: For library compounds, CoA typically includes structural confirmation (LC–MS, 1H NMR), assay purity by HPLC/UPLC, and sometimes water/residual solvent levels by KF/GC. Request these if not included by default.

Interpreting common quality notations (general guidance; not specific to this item)

• Screening grade: Suitable for primary screening; purity typically ≥90–95% by HPLC. Lower UV background and defined counter-ions are preferred for biochemical assays.
• Medchem grade: Often higher purity (≥95–98%), tighter residual solvent/metals specs, and documented salt form—better for SAR and in vivo-enabling studies (still for research use only).
• Analytical/HPLC grade (solvents/reagents context): Low UV cutoffs and particulate control—mentioned here only to contrast; not applicable unless solvent is supplied.

Stabilizers/additives

• Stabilizer content: Not specified for this item; refer to CoA/Spec Sheet. Most solid screening compounds are shipped neat without stabilizers; solutions may contain DMSO.

Batch-to-batch documentation

• Request batch CoA and, where required, a spec sheet detailing analytical method conditions (e.g., HPLC gradient, detection wavelength) to reproduce purity assessments in-house.

Note: Where a specific numeric standard (e.g., 98% HPLC) is required for your application, please request a lot meeting that criterion prior to order placement.

Reaction & Applications

This product is offered as a small-molecule research compound for screening or reference use; it is not positioned as a synthetic reagent or catalyst. As such, classical “reaction applications” (e.g., cross-couplings, reductions) are not typically applicable without knowledge of its functional groups.

Applicable research uses (general guidance; not item-specific claims)

• Screening: Inclusion in biochemical, biophysical (SPR, MST), or cell-based assays to identify activity profiles. Ensure appropriate vehicle controls and solubility verification to avoid false positives/negatives.
• Reference standard: If identity/purity are documented on the CoA, the compound may serve as an internal control for LC–MS method development or as a spike-in for stability studies.
• Profiling: Physicochemical characterization (shake-flask logD, kinetic solubility, PAMPA) to build structure–property datasets, contingent upon structural disclosure.

If you intend to use this material in synthesis, please request the full structural information and functional group annotations to assess reactivity, protective group strategies, and compatibility with the desired transformations. Without structure, no reliable recommendations on reaction families, mechanisms, or conditions can be made for this specific item.

Reaction Conditions

Not applicable in a specific sense: the compound is supplied as a discrete screening molecule rather than a reagent to facilitate or undergo named reactions under set conditions. Without structural information, no credible recommendations on catalysts, temperatures, or solvents for transformations involving this molecule can be made.

General notes (only if you plan to evaluate chemical stability; not item-specific)

• Hydrolysis/oxidation checks: Incubate a small aliquot in intended assay buffer at 25–37°C for 24–48 h and analyze by LC–MS to gauge stability. Repeat under light-protected and oxygen-limited conditions to identify liabilities.
• Solid-state handling: Assess hygroscopicity by monitoring mass change at controlled humidity; if significant, store under desiccation and handle swiftly.
• Solution stability screening: Prepare a 10 mM DMSO stock and evaluate stability across common diluents (water, PBS, HEPES, media) by LC–UV/LC–MS over time.

These are general stability-assessment practices and do not constitute item-specific reaction conditions.

Safety & Handling

Safety data specific to this item are not provided in the product data and may be available on the SDS.

• GHS classification, pictograms, signal word, H-statements: Not specified for this item; refer to SDS.
• Storage: Store at −20°C (per product data). Keep container tightly closed, desiccated, and protected from light as applicable. Avoid repeated freeze–thaw by aliquoting.
• Shipping: Supplied in ice chest with ice pads to maintain cold chain.

General laboratory precautions for unknown small molecules (guidance only; defer to SDS)

• PPE: Safety glasses, lab coat, appropriate chemically resistant gloves (e.g., nitrile). Work in a fume hood to avoid inhalation/dermal exposure.
• Handling: Avoid dust/aerosols. For DMSO solutions, assume enhanced dermal absorption potential; avoid skin contact. Prevent contamination of common equipment.
• Incompatibilities: Unknown for this item; as a precaution, segregate from strong oxidizers/reducers and strong acids/bases until compatibility is confirmed.
• First aid (overview): If inhaled—move to fresh air; if on skin—wash with soap and water; if in eyes—rinse cautiously with water for several minutes; if ingested—rinse mouth, seek medical advice. Bring SDS with you.
• Spill response: Absorb with inert material (e.g., vermiculite), transfer to waste compatible with organic solids/solutions. Ventilate area and decontaminate surfaces.
• Waste: Collect as halogenated or non-halogenated organic waste based on solvent matrix; follow institutional EHS guidance.

Always consult the batch-specific SDS for authoritative hazard, exposure limits, and response procedures.

Solvent Selection

Applicability: This entry represents a small-molecule screening compound with undisclosed structure; solvent choice should prioritize solubility, assay compatibility, and chemical stability rather than synthetic utility.

General solvent guidance (not item specifications)

• Primary stock solvent: Anhydrous DMSO is the default for discovery libraries due to broad solvency and biological assay compatibility up to ~0.5–1% v/v final.
• Alternative solvents: DMF (more aggressive; higher assay liability), acetonitrile and ethanol (useful as co-solvents in aqueous buffers), and aqueous buffers adjusted with surfactants (e.g., 0.01–0.05% Tween-20) if the compound is sufficiently polar.
• Miscibility and handling: Pre-warm viscous DMSO stocks to room temperature, vortex and brief sonication to ensure full dissolution before dilution into buffers.

Assay compatibility considerations

• Enzyme/biochemical assays: Keep DMSO ≤0.5% v/v unless the assay has been validated at higher concentrations. Include vehicle controls to deconvolute solvent effects.
• Cell-based assays: Aim for ≤0.1–0.5% DMSO; verify cytotoxicity/vehicle tolerance. Filter sterilize final media if precipitation/particulates are observed.

Stability considerations

• Hydrolytic/photo lability unknown for this item. When uncertain, favor amber vials, minimize light/air exposure, and verify stability by quick LC–MS after 24–48 h in assay matrix.

Comparison snapshot (guidance)

• DMSO: Max solvency, broad compatibility; cons—enhanced dermal permeation, possible target modulation.
• Acetonitrile: Good co-solvent; cons—volatility, lower biological tolerance.
• Ethanol: Biologically tolerated up to ~0.5–1% v/v; cons—selectivity artifacts for membrane targets.

Storage & Reconstitution

Item-specific storage and logistics

• Storage condition: Store at −20°C (per product data). Keep container tightly closed. Use a desiccant and protect from light if the compound is photosensitive (not specified for this item).
• Shipping: Dispatched in an ice chest with ice pads to maintain a cold chain during transit.

Reconstitution guidance (general best practices; not product specifications)

• Solvent: Use anhydrous DMSO as the primary solvent unless the CoA indicates a preferred alternative. Begin with 10–50 mM stocks, adjusted based on solubility.
• Technique: Allow vial to equilibrate to room temperature before opening to prevent condensation. Weigh rapidly, recap promptly, and purge headspace with inert gas if long-term storage is planned.
• Aliquoting: Prepare single-use aliquots in inert, low-bind vials or 96-well plates to avoid multiple freeze–thaw cycles.
• Freeze–thaw: Minimize cycles. For DMSO stocks, store at −20°C; thaw briefly at room temperature, mix, and immediately return unused aliquots to storage.
• Stability monitoring: Verify integrity by LC–MS/LC–UV at initial receipt and periodically if stored >6 months. Track any color change, precipitation, or potency drift.

Not specified for this item; refer to CoA/Spec Sheet for

• Appearance (solid/oil/solution)
• Exact solubility and recommended solvents
• Salt/solvate form and exact molecular weight
• Any light or humidity sensitivities

Research Use Only: Not for human or veterinary use.

Structure & Identity

Item-specific identifiers are limited for this library compound entry.

• Product name: M4K2234 (internal research code)
• CAS: 2421141-51-5
• 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.
• Synonyms: Not specified for this item; refer to CoA/Spec Sheet.

Structural features

• Item-specific structural class (functional groups, ring systems, stereochemistry): Not provided in the product data. Without a structure (SMILES/InChI), no reliable statement can be made regarding heterocycles, substituent patterns, or chiral centers. Please consult the CoA/SDS or request the structure sheet if needed for cheminformatics or assay liability review.

General notes (guidance only)

• For small-molecule screening compounds such as M4K-series entries, suppliers often provide structure under CDA or upon request. If your workflows require structural flags (PAINS, REOS, Lipinski), obtain the exact structure to compute liabilities and descriptors (cLogP, TPSA, HBD/HBA). These are literature/computed metrics and are not item specifications.

Documentation pointers

• If structure is released, we can provide: MDL molfile, 2D depiction, stereochemical annotation (R/S, E/Z), and salt/solvate form, if any. Until then, treat as an anonymized small-molecule research item.

Synthetic Utility

This product is not presented as a building block or reagent, and the structure is not disclosed in the provided data. Therefore, specific synthetic transformations, reactivity, or functional group manipulations cannot be described for this item.

Guidance if synthetic use is contemplated (general; not item-specific)

• Obtain full structural information (including salt/solvate state and stereochemistry) to evaluate functional handles, protection/ deprotection strategies, and compatibility with common coupling, oxidation/reduction, or cyclization conditions.
• Analytical confirmation: If derivatization is attempted, verify identity/purity by LC–MS and NMR before and after reaction; track potential isomerization or salt exchanges.
• IP and licensing: M4K-series codes may be associated with collaborative discovery programs; ensure your intended use complies with any IP/licensing constraints.

Until structure and functionality are confirmed, treat this material as a finished research compound primarily suited to screening and analytical reference applications rather than as a synthetic intermediate.

Target Specificity

• Target(s), affinity, selectivity: Not specified for this item; refer to technical documentation or screening reports if available.

Guidance for establishing target specificity (general; not item-specific claims)

• Primary data: Determine potency in a validated biochemical assay, with full concentration–response curves and appropriate controls.
• Counterscreens: Test against related family members and liability panels (off-target enzymes/receptors) to assess selectivity.
• Orthogonal methods: Employ target engagement techniques (CETSA, DARTS, NanoBRET) and biophysical binding (SPR/ITC) to corroborate mechanism.
• Artifacts: Rule out aggregation (detergent controls, DLS), redox cycling, fluorescence interference, or chelation if the structure suggests such risks once disclosed.

No therapeutic or diagnostic claims are made. This product is for research use only.