This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
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 manufacturer-validated protocols are provided for this item. The following are general protocols for small-molecule antagonists in receptor-related assays. Optimize for your system.
Stock preparation:
Dissolve in anhydrous DMSO to 10–50 mM. Vortex and, if needed, gentle warming (<40°C). Verify by LC or qNMR for critical studies.
Plate cells expressing the target receptor (endogenous or recombinant) in assay buffer.
Pre-incubate with serial dilutions of compound (e.g., 10-point, 1:3 series) maintaining constant DMSO across wells.
Stimulate with agonist (e.g., PGD2 or surrogate) and record response (cAMP, Ca2+ flux, beta-arrestin) per kit instructions.
Analyze concentration–response to determine apparent IC50; perform Schild analysis if mechanistic antagonism is investigated.
Binding assay (if a radioligand/fluorescent tracer is available):
Conduct competition binding with appropriate tracer, membranes/cells, and incubation conditions. Fit Ki using the Cheng–Prusoff relationship.
Controls and QA:
Include vehicle controls, positive control antagonist (if available), and assess cytotoxicity in parallel.
These steps are generic and must be tailored to your specific assay platform.
Biological Roles
General, literature-level context (no medical claims):
Moxilubant is reported in the scientific literature as a synthetic small-molecule antagonist associated with prostaglandin D2 signaling pathways, often studied via the CRTh2 (DP2; PTGDR2) receptor. Such compounds are used as tools to probe chemoattractant signaling in immune cells (eosinophils, basophils, Th2 cells) in vitro.
Use in research workflows:
Target validation: Antagonist challenge in GPCR functional assays (e.g., second-messenger readouts) to dissect pathway contributions.
Selectivity profiling: Comparison across prostanoid receptors (e.g., DP1, TP, EP series) to map off-target interactions.
Systems biology: Integration into transcriptomic or proteomic perturbation studies to characterize downstream signaling changes upon CRTh2 blockade.
Best practices:
Verify target engagement with orthogonal assays (binding plus function).
Confirm identity and purity of the lot used to avoid confounding effects from impurities.
Define vehicle controls (DMSO) and concentration–response curves to determine IC50/KB values under your exact assay conditions.
Note: Specific potency, selectivity ratios, and kinetic parameters are not provided here; consult primary literature and determine values experimentally in your system.
Buffer Applications
This item is a small-molecule screening compound and is not a buffering agent. As such, classical buffer system guidance (composition, pKa, and buffering range) does not apply.
Practical notes for assay buffers (general):
Prepare dilution buffers (e.g., PBS, HBSS, HEPES-buffered saline) to maintain physiological pH and ionic strength for cell-based and biochemical assays.
Maintain consistent cosolvent content (e.g., DMSO ≤0.1–1% v/v) across control and treated wells.
Filter or sterile-filter buffers as required by the assay format and store according to best practices to minimize microbial growth.
Green Alternatives
As a screening compound (not a bulk solvent or process reagent), “green alternatives” mainly concern the choice of vehicles and analytical solvents rather than replacement of the compound itself.
Greener practice suggestions (general):
Vehicle selection: If DMSO can be reduced, consider aqueous buffers with minimal cosolvent, or switch from acetonitrile to methanol where chromatographic performance allows.
Miniaturization: Use microplate-based assays and microscale analytics to reduce solvent consumption.
Waste segregation: Collect halogenated vs non-halogenated organic waste appropriately to enable optimal downstream handling.
Small comparison (general guidance):
Acetonitrile vs Methanol (RP-LC):
ACN: lower viscosity, higher elution strength; often better peak shape but higher environmental/price volatility.
MeOH: greener profile and lower cost; may require higher pressure/longer runs and can change selectivity.
DCM/EtOAc vs CPME/2-MeTHF (extractions):
CPME/2-MeTHF offer improved safety/greenness vs chlorinated solvents when liquid–liquid extraction is necessary for sample cleanup.
Document actual solvent use and evaluate opportunities to reduce, replace, or recycle consistent with your assay performance requirements.
Pharmaceutical Uses
No pharmacopeial or excipient status is provided for this product. It is sold strictly for research use only, not for human or veterinary use.
Research/manufacturing context (general):
Discovery and preclinical research tool: Employed in target validation, SAR, and screening assays; may be profiled in formulation-feasibility studies at research scale (e.g., solvent screening, supersaturation assessments) without implying clinical applicability.
Analytical reference: Can serve as an internal or external control in method development for receptor-ligand interaction assays or LC–MS quantitation, provided purity and stability are established.
Important restrictions:
Not approved as an API, excipient, or medical product component on the basis of the provided data.
No clinical, diagnostic, or therapeutic claims should be made or inferred.
For any regulated use, obtain comprehensive analytical documentation, stability data, and perform risk assessments in line with your institutional and legal requirements.
Physical Properties
Item-specific physicochemical specifications are not provided in the Product Data. Do not assume values for analytical or process design.
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: Not specified for this item; refer to CoA/Spec Sheet.
Refractive Index: Not specified for this item; refer to CoA/Spec Sheet.
pKa/logP: Not specified for this item; refer to CoA/Spec Sheet.
Solubility: Not specified for this item; refer to CoA/Spec Sheet.
Practical guidance (general, literature-level for screening compounds):
Many small-molecule screening compounds are prepared as DMSO stock solutions (e.g., 10–50 mM) for bioassays. Confirm solubility experimentally and filter if needed to remove particulates.
If aqueous use is required, cosolvent systems (e.g., DMSO/H2O with surfactant or buffer) can aid dissolution; determine maximum tolerated DMSO for your assay system (commonly ≤0.1–1% v/v in biological readouts).
Establish a stability-indicating method (e.g., LC-UV or LC-MS) to monitor compound integrity under intended storage and assay conditions.
Always defer to the product CoA/SDS and perform small-scale pretests to confirm suitability for your specific application.
Quality & Grades
Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
Guidance on interpreting quality for screening compounds:
Research/Screening grade: Typically suitable for in vitro assays, target validation, and SAR exploration. Review impurity profile, residual solvents, and identity confirmation on the CoA.
HPLC/UPLC data: Prefer lots accompanied by purity by HPLC/UPLC and identity by HRMS/NMR. If UV-active, low baseline drift in the method aids quantitation.
Stabilizers: Not specified for this item; refer to CoA/Spec Sheet. If stabilizers are present, verify assay compatibility and account for their UV/fluorescence.
Elemental/trace analyses: Not specified for this item; refer to CoA/Spec Sheet.
Recommendations:
For mechanistic biology and screening, define acceptance criteria (e.g., ≥95% HPLC purity and confirmed ID). For quantitative pharmacology or ADME assays, additional orthogonal ID checks and water content (KF) are advisable.
Retain and reference the lot-specific CoA. If regulatory submission or GLP is anticipated, request enhanced documentation (full analytical package, impurity IDs, and stability data).
Reaction & Applications
This product is categorized under “small molecules and compound libraries” and is primarily intended for biological screening and target-validation research rather than as a synthetic reagent.
Applicable research uses (general, literature-level):
Tool compound in receptor pharmacology assays (e.g., antagonist profiling, functional GPCR assays, beta-arrestin, cAMP/Calcium flux, radioligand binding where applicable).
Chemical biology: pathway interrogation, phenotypic screening, and structure–activity relationship (SAR) development when paired with analog series.
ADME/DMPK method development: solubility, stability, and metabolic profiling as part of a library panel.
Not typically applicable:
It is not commonly used as a stoichiometric reagent, catalyst, or building block in synthetic organic chemistry. For synthetic methodologies, see the Synthetic Utility and Reaction Conditions tabs for general notes indicating limited applicability.
Practical tips:
Establish solvent/vehicle compatibility for your assay system (especially maximum tolerated DMSO).
Implement stability-indicating LC-MS to monitor integrity during assay prep and incubation.
Calibrate concentrations using accurate weight-by-volume stock preparation and, if needed, quantitative NMR (qNMR) against an internal standard.
Reaction Conditions
Not typically applicable. This product is a screening compound and is not intended for use as a reagent or catalyst in synthetic reactions.
If performing analytical or assay-related preparations (general guidance):
Stock solutions: Prepare in dry, high-purity DMSO at a known concentration (e.g., 10–50 mM), verify complete dissolution visually and by LC if critical.
Dilutions: Bring to working concentrations in the appropriate assay buffer, matching final DMSO across all wells/tubes.
Stability: Minimize freeze–thaw by aliquoting; protect from light if the compound shows UV/visible sensitivity (establish experimentally).
Filtration: If particulates form upon dilution, pass through 0.2 µm PTFE/RC filters compatible with your solvent system.
For any synthetic use, consult primary literature for the specific scaffold; no reaction condition data are provided in the Product Data.
Safety & Handling
Safety information in the Product Data is incomplete. Treat the substance with caution as a research chemical of unknown hazards.
GHS Classification: Not specified for this item; refer to SDS.
Signal Word / Pictograms / H-Statements: Not specified for this item; refer to SDS.
General laboratory precautions (standard best practices):
Wear appropriate PPE: lab coat, safety glasses, and chemical-resistant gloves. Handle in a chemical fume hood to avoid inhalation of dust/aerosols.
Avoid contact with skin and eyes. Prevent ingestion and inhalation. Wash thoroughly after handling.
Incompatibilities: In absence of specific data, segregate from strong oxidizers, strong acids/bases, and reactive reducing agents until compatibility is known.
Spill/accident response: Contain solids with inert absorbent, avoid dust generation, and dispose according to institutional and local regulations.
Fire safety: If organic and combustible, use CO2, dry chemical, or foam. Ensure extinguishers are accessible.
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 attention as appropriate.
Always consult the official SDS for authoritative hazard, exposure limits, and first-aid instructions for your received lot.
Solvent Selection
Solvent choices for Moxilubant are not specified in the Product Data. The following are general strategies for small-molecule screening compounds.
Primary stock solvent (general practice):
DMSO is commonly used to prepare concentrated stocks (e.g., 10–50 mM) due to broad solvating power and assay compatibility in low percentages.
Cosolvent systems for assay use:
DMSO diluted into aqueous buffer (e.g., PBS, HBSS, HEPES-based) with final DMSO typically ≤0.1–1% v/v to minimize biological interference.
For poorly soluble compounds, consider DMSO:PEG400:water or addition of minimal non-ionic surfactant (e.g., 0.01–0.1% Tween-80) after compatibility checks.
Chromatographic solvents (analytics, general):
Reversed-phase LC: water (0.1% formic acid or ammonium buffer) with acetonitrile or methanol as organic modifier. Choose based on UV response, retention, and peak shape.
Solid-state screening:
If crystallinity is relevant, solubility/evaporation trials in MeOH, EtOH, EtOAc, ACN, acetone, and MTBE may assist in forming analytically tractable solids. Confirm no degradation.
Always determine actual solubility and stability experimentally for your specific lot and intended use.
Shipped In: Not specified for this item; refer to CoA/Spec Sheet.
Appearance/Physical state: Not specified for this item; refer to CoA/Spec Sheet.
Reconstitution guidance (general for small molecules):
Upon receipt, allow the container to equilibrate to room temperature before opening to minimize moisture condensation.
If preparing stock solutions, use dry, high-purity DMSO; filter if necessary and aliquot to minimize freeze–thaw cycles.
Store solutions in tightly sealed, chemically compatible vials (e.g., amber glass) at temperatures aligned with your stability findings (commonly −20°C for DMSO stocks unless data support room-temperature stability). Label with concentration, solvent, lot, and date.
Stability monitoring:
Establish a stability-indicating LC-UV or LC-MS method. Periodically re-check purity and potency for long-term studies.
Note:
Where specific shelf-life or stability data are required, consult the lot-specific CoA/SDS or generate in-house data under your exact storage conditions.
Structure & Identity
Brief overview: Moxilubant is a cataloged small-molecule research compound supplied for screening and discovery use.
SKU: M669052
Product Name: Moxilubant
CAS: 146978-48-5
PubChem CID (literature): 9955657
InChIKey: Not specified for this item; refer to CoA/Spec Sheet. (Note: the provided string “374357” is not a valid InChIKey; consult the SDS/CoA or primary databases.)
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, literature-level):
Moxilubant is described in the literature as a synthetic, drug-like small molecule used as a receptor antagonist in prostaglandin D2/CRTh2 research. Confirm exact functional groups and stereochemical features from primary sources before designing assays or analytics.
2D structure description (general guidance):
As structural descriptors (SMILES/InChI) are not provided here, users should retrieve a verified 2D representation from authoritative databases (e.g., PubChem entry for CID 9955657) prior to method development, impurity profiling, or spectral assignment.
Identity confirmation best practices:
Cross-verify CAS and supplier lot number with the CoA.
Use orthogonal ID tests where needed (e.g., HRMS, 1H/13C NMR, and HPLC/UPLC retention relative to a reference standard).
Synthetic Utility
Moxilubant is supplied as a finished small-molecule research compound and is not typically employed as a synthetic reagent or building block.
Context and guidance (general):
Functional-group manipulation and derivatization could be explored by medicinal chemists for SAR expansion, but such transformations should be based on verified structural information from primary databases and are outside the intended catalog use.
If analog synthesis is planned, first secure an authentic structural reference (SMILES/InChI) and spectral data for benchmarking (1H/13C NMR, HRMS), then design retrosynthetic routes targeting the parent scaffold rather than modifying catalog material.
Conclusion:
For most users, the utility of this product lies in biological screening and mechanistic studies rather than as a reagent in named reactions or as a coupling partner.
Target Specificity
Item-specific target data are not provided in the Product Data.
Literature-level note (to be independently verified):
Moxilubant has been reported as an antagonist associated with the CRTh2 (DP2; PTGDR2) receptor in prostaglandin D2 signaling research. Users should confirm target specificity and off-target profile with their own assays and by consulting primary references.
No antibody/biologic attributes apply (no clone, isotype, epitope, or species reactivity), as this is a small-molecule compound.
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