GW2433 - Moligand™, ≥98% , Agonist of Peroxisome proliferator-activated receptor-β/δ, CAS No.227941-61-9, Agonist of Peroxisome proliferator-activated receptor-β/δ

CAS: 227941-61-9 Cat. No.: G610762 Formule: C₂₈H₂₈Cl₃FN₂O₄ Poids moléculaire: 581.89

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

GW 2433 is a dual PPARα and PPARδ agonist. GW 2433 has the potential for the study of type II diabetes and dyslipidemia.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of Peroxisome proliferator-activated receptor-β/δ

Pureté

≥98%

Noms et identifiants

Sourires canoniques

O=C(N(CCc1c(F)cccc1Cl)CCCc1ccc(cc1)OC(C(=O)O)(C)C)Nc1cccc(c1Cl)Cl

IUPAC Name

2-[4-[3-[2-(2-chloro-6-fluorophenyl)ethyl-[(2,3-dichlorophenyl)carbamoyl]amino]propyl]phenoxy]-2-methylpropanoic acid

InChIKey

YMWJDWJXIXITMD-UHFFFAOYSA-N

INCHI

1S/C28H28Cl3FN2O4/c1-28(2,26(35)36)38-19-13-11-18(12-14-19)6-5-16-34(17-15-20-21(29)7-3-9-23(20)32)27(37)33-24-10-4-8-22(30)25(24)31/h3-4,7-14H,5-6,15-17H2,1-2H3,(H,33,37)(H,35,36)

Poids moléculaire

581.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: N-phenylureas Phenoxy compounds Phenol ethers Dichlorobenzenes Alkyl aryl ethers Fluorobenzenes Aryl chlorides Aryl fluorides Ureas Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organochlorides Organopnictogen compounds Carbonyl compounds Organofluorides Hydrocarbon derivatives Organonitrogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxyacetate - N-phenylurea - Phenoxy compound - 1,2-dichlorobenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Urea - Carbonic acid derivative - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• External Descriptors: monocarboxylic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

PPARD Tchem Peroxisome proliferator-activated receptor delta (1 Activities)

Discover Target: PPARD

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

Discover Target: PPARA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 581.900 g/mol
• XLogP3: 7.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 580.11 Da
• Monoisotopic Mass: 580.11 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 768.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Application Protocols

Validated application data (e.g., assay formats, concentrations, positive controls) are not specified for this item.

General protocol guidance for small-molecule screening compounds (not item-specific):

• Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM. Filter (0.2 µm PTFE) or centrifuge to clarify if needed. Prepare single-use aliquots to avoid freeze–thaw.
• Plate handling: Equilibrate plates to ambient temperature before opening to minimize condensation. Use acoustic or pin-tool transfer to control delivered DMSO volumes.
• Assay setup: Titrate across at least 8–10 points (e.g., 3-fold serial) to estimate potency and Hill slope. Keep final DMSO constant across wells.
• Controls: Include vehicle controls, positive controls (known actives for the target/pathway), and orthogonal counterscreens to identify assay interference.
• Data quality: Monitor Z’ factor, signal stability, and precipitation by visual or light-scatter checks. Confirm hits with fresh aliquots and independent methods.

If you require a detailed, item-specific protocol, please request any available method notes or references associated with this SKU.

Biological Roles

Item-specific biological targets, pathways, or mechanisms are not provided in this listing. As a Moligand small-molecule entry, GW2433 may be used in research to interrogate biochemical pathways if a target is known from independent sources.

• Known target(s): Not specified for this item; consult literature and the CoA/Spec Sheet where available.
• Pathways/processes: Not specified for this item.

General guidance for biological evaluation (not item-specific):

• Establish putative MoA through a combination of biochemical assays (enzyme kinetics, binding isotherms), biophysical methods (DSF, ITC, SPR), and cellular readouts (reporter assays), while controlling for solvent effects.
• Check pan-assay interference compound (PAINS) and aggregator risk using orthogonal assays and detergent supplementation where appropriate.
• Assess redox activity, fluorescence, or reactivity that can confound readouts (e.g., ALDH substrates, covalent warheads) using counter-screens.
• Determine basic ADME-relevant properties in vitro (permeability, microsomal stability, solubility, logD) if the compound is to be used as a tool in complex biological matrices.

Important restrictions:

• For research use only. No claims are made regarding therapeutic use, safety, or efficacy in humans or animals.
• If target specificity data are required for your study, please request any available annotations for this SKU or consider profiling against a target panel.

Buffer Applications

This product is a small-molecule ligand and is not itself a buffering agent. Therefore, it has no intrinsic buffering range or capacity to formulate typical laboratory buffers.

Practical notes for use of buffers with small-molecule ligands (general):

• Select buffer pH to keep the ligand in the desired ionization state for solubility and target engagement once the pKa is known (not specified for this item).
• Maintain low organic cosolvent in final assay buffers (commonly ≤0.1–0.5% DMSO) to avoid perturbing protein targets or cells.
• Filter or centrifuge assay buffers after compound addition to remove any precipitate before initiating measurements.

If you require specific buffer recipes or pH ranges tailored to this compound, please consult the CoA for physicochemical data or contact technical support with your assay context.

Green Alternatives

Because this product is a discovery ligand rather than a bulk solvent or commodity reagent, “green alternative” considerations mainly concern solvent choices and handling in assays and analytics rather than substitution of the compound itself.

Greener practice considerations (general):

• Prefer aqueous buffers with minimal organic cosolvent where assay tolerance permits; target ≤0.1–0.5% DMSO in screening wells.
• For analytical dissolution, use smaller injection volumes and match diluent to initial mobile phase to reduce rework and waste.
• Where DMSO is mandatory for solubility, minimize stock concentration oversizing to reduce the number of aliquots discarded due to shelf-life.

Comparison of common dissolution media (general, not item-specific):

• DMSO: High solvency; difficult to remove, high boiling point. Mitigation—use micro-aliquots and precise dispensing to avoid excess.
• Acetonitrile: Volatile, LC-friendly; greater worker exposure risk—use well-ventilated hoods and capped vials.
• Ethanol: Lower toxicity but may perturb biological systems; verify assay tolerance.
• 2-Propanol: Moderate solvency; easier evaporation; can affect membrane integrity in cell-based assays.

Operational improvements:

• Adopt closed, low-dead-volume dispensing and sealed microplates to minimize evaporation and emissions.
• Implement plate-level stability tracking to reduce the need for repeat preparations.

Note: If the CoA indicates specific stability risks (e.g., hydrolysis, photolysis), select solvents and containers (amber, low-bind plastics) to extend usable life and reduce waste.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing use is specified for this item. GW2433 is provided strictly for research use as a small-molecule ligand within discovery workflows.

General information (not item-specific, non-clinical):

• Screening and tool compounds are sometimes incorporated into preclinical research matrices for target validation, MoA studies, or PK profiling in vitro. Such uses require rigorous qualification of identity, purity, and stability; consult the CoA/SDS and institutional policies.
• This listing provides no endorsement or suitability for GMP manufacturing, clinical development, or diagnostic use. No compendial monograph is implied.

If you plan to evaluate formulation-like behaviors (e.g., solubility enhancement, salt screening) for research purposes, request structural information and impurity profiles to ensure appropriate selection of counterions, excipients, and analytical methods.

Physical Properties

Item-specific physicochemical constants are not provided in this listing. The following fields reflect availability, not specifications.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Physical state: 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 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: Not specified for this item; refer to CoA/Spec Sheet.
• UV-Vis absorbance/UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/practice, not item-specific):

• Small-molecule screening ligands are commonly supplied as solids or DMSO-concentrates. In the absence of structure, assume DMSO compatibility for stock solutions unless CoA specifies otherwise.
• If aqueous work is anticipated, determine ionization behavior (pKa) and logD by preliminary screening (shake-flask or chromatographic estimate) to select suitable buffer pH and cosolvent ratio.

Recommendation:

• Verify actual physical constants and any stabilizers on the current batch CoA/SDS before method development, QC, or biological screening.

Quality and Grades

• Item grade: Moligand™

What Moligand grade denotes (general description):

• Curated small-molecule ligand suitable for discovery biology and chemical probe development workflows.
• Batches are typically verified for identity (e.g., LC-MS and/or NMR) and assessed for chromatographic purity. Specific methods and acceptance criteria are reported on the CoA.
• Packaging designed to minimize contamination, moisture ingress, and adsorption losses; lot traceability is maintained.

What is specific to this item:

• Purity percentage, stabilizers, residual solvents, metal content, water/peroxide levels, and UV profile: Not specified for this item; refer to CoA/Spec Sheet.
• Appearance and form factor (solid vs solution): Not specified for this item; refer to CoA/Spec Sheet.

Practical implications:

• For assay development or screening, confirm lot-specific identity/purity data from the CoA before use in quantitative studies.
• If LC-UV or LC-MS quantitation is planned, review chromatographic conditions used for release testing to harmonize methods and retention factors.
• If the compound is hygroscopic or photosensitive (per CoA/SDS), plan for controlled-atmosphere handling, amber vials, and single-use aliquots to maintain integrity.

Documentation available on request:

• Certificate of Analysis (current lot), Spec Sheet (technical data), and SDS.

Reaction and Applications

This SKU is positioned as a research small-molecule ligand (Moligand collection) rather than a synthetic reagent. Consequently, its primary applications are in discovery biology and analytical characterization rather than as a stoichiometric substrate or catalyst.

Discovery/assay applications (general):

• Probe development: Use as a reference ligand or screening hit candidate in binding, enzymatic inhibition, or phenotype assays. Define target panels empirically or from literature if available.
• Analytical benchmarking: Reference for retention time mapping and MS tuning if structural data are available from the CoA.
• SAR workflows: If analogs are accessible, compare activity trends under consistent solvent and assay conditions.

Not typically applicable:

• Named-reaction participation (e.g., cross-coupling, Grignard) is generally outside scope for preformed screening ligands unless you are derivatizing the scaffold. If derivatization is intended, request structural and impurity profiles to plan protecting-group and compatibility strategies.

Practical tips:

• Establish a compound management protocol: prepare DMSO master stocks under dry, inert conditions if sensitive; make single-use aliquots to avoid freeze–thaw cycles.
• Validate stability: run short-term isochronous stability tests in assay matrix and at bench conditions to detect precipitation or degradation.
• Record exact plate map, dilution scheme, and solvent percentages; track these with the lot number for reproducibility.

Reaction Conditions

This product is not provided as a synthetic reagent, and no reaction-condition guidance is specified for it.

General notes (not item-specific):

• If you intend to derivatize or formulate GW2433 for research purposes, develop conditions empirically after obtaining the structure and functional group profile. Begin with small-scale screens to establish solvent compatibility, temperature limits, and stability.
• For solution preparation in analytical or biological contexts, typical handling involves dissolving in anhydrous DMSO to 10–50 mM, brief vortex/sonication, and immediate dilution into the working matrix. Verify that no precipitation occurs upon dilution.

Item-specific temperatures, catalysts, and yields: Not specified for this item; refer to CoA/Spec Sheet.

Safety and Handling

Authoritative safety information is provided in the SDS for this SKU; consult the SDS prior to use. No GHS details are specified in this listing.

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / H-statements / Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (good practice for small-molecule research compounds):

• PPE: Wear lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Use in a fume hood to avoid inhalation of dusts or vapors.
• Avoid contact with skin, eyes, and clothing. Prevent ingestion and inhalation. Wash hands thoroughly after handling.
• Incompatibilities: Until structure is confirmed, avoid strong oxidizers and strong acids/bases. Segregate from foodstuffs and incompatible reagents; keep container tightly closed.
• Spill/accidental release: Collect solids by careful sweeping; for solutions, absorb with inert material. Dispose of in accordance with institutional and local regulations.
• First-aid (overview, defer to SDS): If inhaled—move to fresh air. Skin/eye contact—rinse with water for at least 15 minutes. If ingested—rinse mouth; seek medical advice. Provide the SDS to responders.
• Fire-fighting: Use CO2, dry chemical, or foam as appropriate for surrounding materials. Combustion products may be irritating; firefighters should wear self-contained breathing apparatus.

Note: This product is for research use only. No medical, veterinary, or household use is intended.

Solvent Selection

Item-specific solubility data are not provided. The guidance below reflects standard practices for small-molecule screening compounds and should be validated experimentally for this SKU.

• Primary stock solvent (common practice): DMSO for 10–50 mM master stocks, then dilute into assay buffer immediately prior to use to minimize precipitation and compound degradation.
• Alternative organic solvents: DMF, acetonitrile, or ethanol may be suitable for initial dissolution. Verify compatibility with downstream assays and plastics.
• Aqueous compatibility: Without pKa/logD data, assume limited aqueous solubility; use cosolvent strategies (e.g., 1–2% DMSO final, or 10–20% ACN for analytical injections) pending empirical solubility checks.
• Degassing/oxygen sensitivity: Not specified for this item; refer to CoA/SDS. In the absence of guidance, protect solutions from prolonged air/light exposure.

Selection tips:

• For biochemical assays sensitive to DMSO, consider pre-screening solubility in ethanol or ACN and perform serial dilutions to maintain ≤0.1–0.5% organic in the final well.
• For LC method development, match dissolution solvent to initial mobile phase strength to reduce peak distortion; filter or centrifuge before injection.

Comparison snapshot (general):

• DMSO: highest solvating power for diverse scaffolds; may impact enzyme activity at >1–2% v/v.
• ACN: volatile, LC-friendly; lower solvating power for highly lipophilic scaffolds.
• EtOH: benign and miscible; can disrupt some protein assays at modest percentages.

Always confirm actual solubility and stability using the supplied lot.

Storage and Reconstitution

• Storage conditions (as provided): Room temperature.
• Shipped in: Not specified for this item; refer to CoA/Spec Sheet.

General best practices for small-molecule ligands (supplemental, not item-specific):

• Keep container tightly closed in a dry, well-ventilated place. Protect from excessive heat and direct light unless the CoA/SDS indicates no photosensitivity concerns.
• For DMSO or other solution stocks, store in sealed, inert-atmosphere vials when feasible. Prepare single-use aliquots to prevent freeze–thaw stress; for DMSO stocks, many labs hold at −20 °C to +4 °C depending on stability—confirm with CoA before deviating from room-temperature storage.
• Avoid moisture ingress; if hygroscopic behavior is suspected, handle quickly with desiccation support.

Reconstitution guidance (not item-specific):

• Preferred solvent: DMSO for primary stocks, unless otherwise indicated by the CoA.
• Target concentration: 10–50 mM typical for screening; adjust based on solubility and assay needs.
• Mix gently (vortex/brief sonication). Inspect for clarity; if undissolved material persists, warm mildly (e.g., 25–37 °C) and re-check. Do not overheat or expose to prolonged light.

Always follow the lot-specific CoA and SDS for authoritative instructions. Research use only.

Structure and Identity

Brief overview: GW2433 is listed as a small-molecule screening ligand in our Moligand collection. Structural identifiers are limited in the current listing.

• Item name: GW2433 (SKU: G610762)
• CAS: G610762 (as provided in product data)
• InChIKey: 441417 (as provided)
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• Synonyms: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general guidance):

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

2D structure description (general):

• A 2D depiction and atom connectivity are not provided in this listing. If you require atom-level identity (e.g., for cheminformatics ingestion, docking, or enumeration), please request the current CoA/Spec Sheet and structure file (SDF/MOL/SMI) from Aladdin Scientific support.

Notes:

• Any computed identifiers (InChI/SMILES) and spectral fingerprints (1H/13C NMR, HRMS) are typically included on the CoA for Moligand-grade items; where absent here, they can be supplied upon request.

Synthetic Utility

As listed, GW2433 is intended as a research ligand rather than a synthetic building block. Without structural disclosure, specific synthetic transformations cannot be recommended.

General considerations if derivatization is contemplated (not item-specific):

• Obtain full structural identity (SMILES/SDF) and impurity profile from the CoA to plan transformations and purifications.
• Map potential functional handles (e.g., aryl halides, amines, acids, alcohols) that enable common modifications: amide coupling, Suzuki/Heck/C–N cross-coupling, reductive amination, O-alkylation, or late-stage diversification.
• Assess protecting-group compatibility and stability under acidic/basic, oxidative/reductive, and photolytic conditions.
• For linkerization (e.g., biotinylation, affinity probes), identify solvent-accessible positions to minimize disruption of activity.

Analytical support:

• Use orthogonal methods (LC-UV, LC-MS, 1H/13C NMR, HRMS) to confirm integrity post-modification.
• Establish chiral integrity if stereocenters are present (chiral HPLC/SFC) before and after transformations.

Conclusion:

• In the absence of a disclosed scaffold, treat this SKU as a finished research probe. If synthetic expansion is required, please request detailed structural documentation and any available synthetic history.

Target Specificity

Item-specific biological target(s), binding constants, and selectivity profiles are not provided for GW2433 in this listing.

• Primary target/class: Not specified for this item; refer to CoA/Spec Sheet or independent literature.
• Species selectivity: Not specified for this item.
• Mode of action: Not specified for this item.

Guidance:

• If you plan to use this compound as a tool molecule, we recommend orthogonal target validation (biochemical binding/kinetics, SPR/ITC, cellular assays) and off-target profiling appropriate to the research context.
• Please contact Aladdin Scientific to request any available annotations or references for this Moligand entry.