GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors
Not available
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.
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Application Protocols
No tested applications or recommended dilutions are provided for this item in the listing.
General protocol guidance for small-molecule screening stocks:
Stock preparation: Weigh accurately under low humidity; dissolve in anhydrous DMSO to a standard concentration (e.g., 10, 25, or 50 mM). Vortex and, if needed, brief sonication. Record exact concentration.
Aliquoting: Dispense into inert, low-bind tubes/plates to minimize freeze–thaw and adsorption. Cap tightly.
Dosing: Add to assay plates using calibrated pipettes or acoustic dispensing; include matched vehicle controls. Final DMSO commonly ≤0.1–1% v/v depending on assay tolerance.
Stability checks: Inspect for precipitation/turbidity after dilution; confirm concentration by LC or UV if feasible.
These steps are general best practices and are not product specifications.
Biological Roles
No target, pathway, or biological role is specified for this catalog item. Any biological activity would be context- and assay-dependent and should be verified from primary literature using CAS 872428-47-2 or PubChem CID 16036762.
General considerations for small-molecule ligands in research (non-clinical):
Potential roles can include modulation of protein function (enzymes, receptors, transporters) or interaction with nucleic acids or membranes; such roles must be experimentally confirmed for the specific batch and conditions used.
Orthogonal validation (e.g., biochemical vs biophysical binding, genetic knockdown/knockout concordance) is recommended to substantiate any observed effects.
Assess liabilities such as redox reactivity, aggregation, fluorescence interference, or pan-assay interference potential (PAINS) using appropriate counterscreens.
Important:
This product is for research use only. It is not intended for human or veterinary use, diagnostic procedures, or as a drug substance.
For publication-quality claims on mechanism or selectivity, accompany activity data with compound identity confirmation and purity documentation (CoA plus in-house checks) and detailed assay vehicle controls.
Buffer Applications
This item is a small-molecule ligand and is not a buffering agent. There are no established buffer systems associated with this compound.
Practical notes for use in buffered assays (general):
Prepare concentrated stock (commonly in DMSO) and dilute into assay buffers (e.g., PBS, HEPES, Tris) ensuring the final vehicle percentage is compatible with biological systems and does not alter buffer pH or ionic strength.
To mitigate precipitation upon dilution, add compound stock slowly with vigorous mixing and consider inclusion of solubilizing excipients (e.g., ≤0.01% Tween-20 or BSA) if compatible with the assay.
Filter sterilization of final working solutions may be used when biologically compatible and when the compound does not adsorb to the membrane; otherwise, prepare fresh and use promptly.
Green Alternatives
While this product is a small-molecule screening ligand rather than a bulk solvent or reagent, greener practices can be applied to its use and handling.
Greener handling strategies (general):
Minimize DMSO usage by preparing higher-concentration master stocks and employing low-volume dosing (acoustic or pin tools) to reduce solvent burden.
Prefer ethanol or aqueous-compatible co-solvent systems when assay biology tolerates them, reducing reliance on dipolar aprotics.
Use microplate formats and sealed vials to limit evaporative losses and emissions; implement solvent recovery where applicable.
Comparison of common vehicles (general guidance):
DMSO: Excellent solvency; higher environmental persistence; aim for minimal final assay percentages.
Ethanol: Renewable sourcing possible; faster biodegradation; may have lower solubility for hydrophobes.
PEG 300/400 (co-solvent): Can enhance aqueous delivery; increases viscosity and may influence assay readouts.
Operational improvements:
Consolidate shipments and opt for room-temperature shipping (as allowed for this item) to reduce cold-chain impact.
Choose reusable cold packs and recyclable secondary containment; segregate solvent waste streams to facilitate downstream recovery.
Note: No greener chemical substitute exists for the molecule itself because it is the analyte/ligand of interest; apply green chemistry at the process level (solvent choice, energy use, and waste minimization).
Pharmaceutical Uses
No pharmaceutical or excipient use is specified for this product. It is offered for research use only and is not produced to pharmacopeial standards.
General context (non-clinical, non-promotional):
In discovery settings, small molecules like this may serve as reference ligands or tool compounds in preclinical assays. Such use does not imply suitability for formulation or therapeutic application.
If pre-formulation studies are contemplated (e.g., solubility, stability screening), conduct them under research conditions only and with appropriate safety and regulatory oversight.
Regulatory note:
Not a USP/EP/JP grade material. No GMP documentation or DMF is implied by this listing. Refer to the CoA for available analytical data.
Physical Properties
Item-specific physicochemical data are not provided in this listing. Do not treat absent values as specifications.
Physical state/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.
Solubility: Not specified for this item; refer to CoA/Spec Sheet. (General practice for small-molecule ligands: prepare stocks in anhydrous DMSO and dilute into assay buffer within acceptable vehicle limits.)
LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
pKa(s): Not specified for this item; refer to CoA/Spec Sheet.
Refractive index: Not applicable/not provided.
Literature/computed values:
If required, compute predicted properties (cLogP, pKa, TPSA, solubility class) once the exact structure file is obtained (e.g., with RDKit, ALOGPS, or commercial platforms). Clearly label any such values as predicted and non-spec.
Practical notes for screening use (general):
Establish a solubility screen across DMSO, DMF, ethanol, and aqueous buffers with co-solvent (≤1–2% v/v DMSO in final assay is common). Filter or centrifuge to remove undissolved particulates.
Record the actual prepared concentration by mass and verified volume; where feasible, confirm by UV or LC when a suitable chromophore/standard exists.
Quality and Grades
Grade: Moligand™ (as listed). Moligand™ denotes Aladdin’s line of small-molecule ligands intended for research screening and chemical biology applications.
What Moligand™ generally implies (program-level guidance; not a specification for this exact item):
Focus on identity confirmation suitable for screening collections (e.g., structural verification via database cross-reference and supplier QC). Specific analytical methods (NMR, LC–MS, HPLC purity) are not listed here—consult the CoA/Spec Sheet for this catalog number.
Packaging designed for discovery workflows (e.g., minimal headspace vials, barcoded labels) may be provided depending on batch—verify in your shipment documentation.
Item-specific quality attributes:
Purity/assay: Not specified for this item; refer to CoA/Spec Sheet.
Residual solvents, metals, water/peroxide content, UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet.
Recommendations for users:
Record batch/lot and retain CoA with assay dates for HTS/chemogenomics traceability.
If low-UV background or LC compatibility is critical, request chromatograms/spectra prior to use and conduct in-house verification on receipt.
Reaction and Applications
Primary use context: As a Moligand™ small molecule, this product is intended for discovery and screening rather than as a synthetic reagent. No manufacturer reaction application is provided for this item.
High-throughput screening (HTS) and focused mechanistic assays where defined small molecules are evaluated for binding or modulation. Use CAS 872428-47-2/CID 16036762 to locate literature-reported contexts if applicable.
Chemical biology: Hypothesis-driven testing in pathway interrogation, target deconvolution (e.g., thermal shift, CETSA, DARTS), or as a reference entry in chemogenomic panels.
SAR and profiling: If analog series exist in your collection, pair with orthogonal readouts (biochemical vs cellular) to disambiguate mechanism-related artifacts from vehicle or assay interference.
Good practices:
Confirm identity by LC–MS/NMR where feasible, especially for first use or late-stage decision experiments.
Establish solubility and stability in your assay matrix; check for adsorption to plastics and light sensitivity.
Incorporate vehicle and non-specific control assays (e.g., counterscreens, redox or aggregation diagnostics) to mitigate false positives.
Note: No specific named reactions or catalytic applications are indicated for this product; if using as a building block, first confirm functional groups from the CoA/structure file and consult standard synthetic literature accordingly.
Reaction Conditions
No reaction conditions are specified for this product, and it is not positioned as a reagent or catalyst. As such, there are no standard “use conditions” analogous to those for common synthetic auxiliaries.
General notes (only if repurposed as a substrate/building block after confirming structure):
Solvent: Choose based on functional groups (e.g., polar aprotic for cross-couplings; alcoholic/aqueous media for substitutions), guided by the verified structure.
Temperature: Start with ambient, then optimize (0–120 °C) according to transformation and stability; monitor by TLC/LC–MS.
Catalysts/bases/acids: Select per named reaction suited to the actual functional handles; ensure compatibility to avoid decomposition.
Typical yields: Highly dependent on the specific transformation; consult primary literature after identifying the scaffold unambiguously.
For screening use, focus on solution preparation and assay conditions rather than chemical reactions.
Safety and Handling
Safety information specific to this item is not included in the listing and must be obtained from the SDS.
GHS and hazard data (from product data):
Signal word: Not specified for this item; refer to SDS.
H-statements: Not specified for this item; refer to SDS.
GHS classification/pictograms: Not specified for this item; refer to SDS.
General laboratory precautions (non-specific guidance):
Handle in a fume hood with appropriate PPE: lab coat, safety glasses, and suitable chemical-resistant gloves.
Avoid inhalation of dust/aerosols and contact with skin/eyes. Prevent environmental release. Wash thoroughly after handling.
Storage incompatibilities should be evaluated once functional groups are confirmed; as a precaution, segregate from strong oxidizers and acids/bases until compatibility is known.
First-aid overview (general):
Inhalation: Move to fresh air; seek medical attention if symptoms occur.
Skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing; seek medical attention if irritation persists.
Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
Waste disposal:
Collect solutions/solids as organic chemical waste per institutional and local regulations. Deactivate or neutralize only if a validated procedure exists for the confirmed structure.
Always defer to the product SDS and your institutional EHS guidelines for authoritative safety information.
Solvent Selection
Because specific solubility data for M-5MPEP are not provided, choose solvents based on general small-molecule screening practice and confirm experimentally.
General solvent strategy for small-molecule ligands:
Primary stock solvent: Anhydrous DMSO is typically preferred for 10–50 mM master stocks; verify actual solubility and stability.
Alternative solvents: DMF or ethanol for compounds poorly soluble in DMSO; consider 1:1 co-solvent blends (e.g., DMSO:MeCN) if precipitation occurs upon dilution.
Aqueous work: Dilute DMSO stocks into assay buffers slowly with mixing; maintain final DMSO ≤0.1–1% v/v (assay-dependent). Include vehicle controls at matched DMSO fractions.
Polarity class and miscibility (generic guidance):
DMSO and DMF are polar aprotic and fully miscible with water; ethanol is polar protic and water miscible. Choice depends on downstream biology and assay tolerance to vehicles.
Small comparison (general):
DMSO: Highest solvating power; can affect membranes/enzymes at >1%.
DMF: Strong solvent; potential material compatibility issues; handle with care.
Ethanol: Biologically tolerated at low %; lower solvating power for hydrophobic scaffolds.
Practical tips:
Warm and vortex/sonicate to aid dissolution; avoid prolonged heating.
Filter through 0.2 µm PTFE/nylon if particles persist and the compound is not adsorptive; otherwise centrifuge and dose supernatant.
Document precipitation/cloudiness upon dilution; adjust vehicle or concentration accordingly.
Storage and Reconstitution
Storage (from product data):
Store at room temperature.
Additional handling guidance (general best practices; not a specification):
Keep container tightly closed in a dry environment; protect from moisture and prolonged light exposure. Use desiccant and amber vials when appropriate.
For long-term archiving of solid or concentrated solutions, consider cool, dry storage and inert atmosphere if the confirmed structure indicates sensitivity (e.g., to oxidation or hydrolysis).
Dissolve in anhydrous DMSO to prepare a concentrated stock (typical 10–50 mM). Verify complete dissolution visually and, if feasible, analytically.
Filter sterilization of aqueous working solutions only if compatible; otherwise prepare fresh prior to use.
Avoid repeated freeze–thaw of solutions; aliquot stocks. Track storage history, vehicle, and concentration on the vial/ELN.
Shipping:
Shipped in: Not specified for this item; refer to shipping documents. Room-temperature shipment is generally acceptable per the storage guidance.
Always consult the product CoA/SDS for item-specific stability and safety details before first use.
Structure and Identity
Overview: This product is a small-molecule screening compound offered under Aladdin’s Moligand™ line. Item-specific structural identifiers are limited in the current listing; use the CAS/CID to retrieve full structural details from primary databases or the CoA.
SKU: M611711
Product name: M-5MPEP (catalog/trade designation)
CAS: 872428-47-2
PubChem CID: 16036762
InChIKey: 40720 (truncated in listing; full InChIKey not specified for this item; refer to CoA/Spec Sheet.)
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.
Structural features (general notes):
Specific ring systems, functional groups, and stereochemistry are not provided in this listing. Consult the CoA or authoritative databases (using CAS 872428-47-2 / CID 16036762) to confirm the exact 2D/3D structure and any stereochemical descriptors.
For cheminformatics workflows, we recommend retrieving the canonical SMILES and InChI from PubChem or the CoA to ensure unambiguous registration in ELNs and screening databases.
2D description (general guidance):
In the absence of a provided structure, describe the molecule in records by its CAS and catalog name, and attach the structure file (SDF/MOL) obtained from a verified source before initiating assays or SAR analyses.
Synthetic Utility
This product is positioned as a screening ligand under the Moligand™ line and is not primarily intended as a synthetic building block. Because the functional groups are not provided in this listing, no specific transformations can be recommended.
General guidance if using as a building block (structure-dependent; verify first):
Identify reactive handles (e.g., halides, nitriles, alkynes, amines, acids) from the confirmed structure and plan orthogonal protection as needed.
For heteroaromatic scaffolds, typical transformations may include cross-couplings (Suzuki, Sonogashira, Buchwald–Hartwig), electrophilic aromatic substitution (where feasible), or late-stage C–H functionalization—only if compatible with the actual substituent pattern.
Maintain analytical traceability: after any derivatization, confirm structure and purity by LC–MS and 1H/13C NMR; archive raw data with reaction details for SAR continuity.
If your goal is SAR expansion rather than use of this exact entity, consider procuring analogs within the same series and applying parallel synthesis under standardized conditions for comparability.
Target Specificity
Not specified for this item; refer to CoA/Spec Sheet and primary literature corresponding to CAS 872428-47-2 or PubChem CID 16036762.
Notes:
No antigen/epitope/clone/isotype information applies (this is not an antibody or protein reagent).
If literature suggests interaction with particular targets, validate under your assay conditions with appropriate orthogonal methods and counterscreens before drawing specificity conclusions.
Need help choosing the grade?
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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