Exo-1 is a synthetic compound that has been shown to affect the metabolism of various nutrients, as well as the regulation of various hormones. It has also been shown to have anti-inflammatory and anti-tumor effects.
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Store at -20°C
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Ice chest + Ice pads
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참고
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
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 application protocols are provided for this item in the Product Data.
General small-molecule handling in assays
Stock preparation: Weigh accurately using the lot-specific molecular weight from the CoA. Prepare 10–50 mM stocks in anhydrous DMSO unless otherwise indicated.
Storage aliquots: Prepare single-use aliquots to minimize freeze–thaw. Seal tightly (PTFE-lined caps) and, if needed, backfill headspace with inert gas.
Assay setup: Include vehicle controls, concentration–response (8–12 points, 3-fold dilutions), and replicate wells. Monitor for precipitation or edge effects in plates.
Data quality: Use Z′-factor and signal-to-background metrics; confirm hits in orthogonal and counter-screens to exclude assay interference.
Note: For any specialized applications, consult internal SOPs and the lot-specific CoA/SDS.
Biological Roles
Item-specific biological role
No biological role or mechanism of action is specified for this item; refer to primary literature for CAS 461681-88-9 if applicable.
General considerations for small molecules in research
Potential use in biochemical assays, cell-based phenotypic screening, or target-based profiling, contingent on solubility, stability, and absence of assay interference.
Before drawing conclusions, corroborate activity with orthogonal methods (biophysical binding, chemical proteomics) and perform counterscreens to detect liabilities such as redox cycling, metal chelation, or aggregation.
If target engagement is suspected, consider chemotype-matched inactive controls and concentration-response validation (with Hill slope diagnostics) to rule out non-specific effects.
Note: No clinical or therapeutic claims are made. This product is supplied strictly for research use only, as indicated in the Product Data.
Buffer Applications
This product is a small-molecule screening compound; it is not a buffering agent. Therefore, typical buffer system guidance (pKa, buffering range, recipes) does not apply.
Practical notes
If the compound will be used in aqueous assays, prepare a concentrated stock in a suitable co-solvent (commonly DMSO) and dilute into the assay buffer while maintaining a final co-solvent level tolerated by the biology (often ≤0.5–1% v/v).
Monitor for precipitation upon dilution into phosphate- or HEPES-based buffers, especially at low co-solvent fractions. If needed, adjust ionic strength, add surfactant (e.g., 0.01% Tween-20), or employ solubilizing agents (e.g., cyclodextrins) as permitted by the assay.
Always filter sterilize through solvent-compatible membranes if sterility is required for cell culture applications.
Green Alternatives
Without a known structure, a definitive green profile (e.g., hazard, persistence, bioaccumulation) cannot be assigned for this item. The following are general considerations for handling and substituting small molecules in screening workflows.
Solvent footprint
Prefer greener solvents (ethyl acetate, 2-MeTHF, CPME, propylene carbonate) over chlorinated solvents when feasible for chromatography or reactions.
For assay stocks, limit DMSO volumes and consider aqueous formulations with cyclodextrins or micelles if compound solubility allows.
Process and waste minimization
Use miniaturized assays (384/1536-well) to reduce solvent consumption and compound usage.
Consolidate waste streams to facilitate responsible disposal; avoid unnecessary derivatizations or protecting-group steps in any preparative chemistry.
Comparison table (general)
DMSO vs 2-pyrrolidone: DMSO widely compatible but high COD; 2-pyrrolidone less volatile but may be less biocompatible. Choose based on assay tolerance.
THF vs 2-MeTHF: 2-MeTHF offers better EHS metrics and can replace THF in many extractions and reactions.
Note: Specific green alternatives for Exo-1 require knowledge of its structure and use context; consult the CoA and your EHS team.
Pharmaceutical Uses
No pharmacopeial status, excipient role, or formulation use is specified for this item.
General context (non-clinical)
Compounds of this type are commonly used in preclinical discovery for target validation, SAR exploration, and as analytical standards. They are not intended for human or veterinary use.
If formulation-like studies are undertaken (e.g., for in vivo models), evaluate vehicle tolerance (e.g., PEG400, cremophor, cyclodextrins) and physicochemical stability (hydrolysis, oxidation, photolysis) using the exact structure-specific data from the CoA.
Compliance note
For research use only. Not for diagnostic, clinical, or therapeutic applications.
Physical Properties
Item-specific specifications
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
Common physicochemical parameters
Melting point (literature/computed): Not available without structure; consult CoA or literature for CAS 461681-88-9.
Boiling point (literature): Not available; consult CoA or literature for this CAS.
Density (literature): Not available; consult CoA.
Solubility: Not specified for this item; refer to CoA/Spec Sheet. For screening compounds, typical practice is to prepare DMSO stocks (e.g., 10–50 mM) if compatible.
logP/logD, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.
Practical guidance (general)
If solid, allow vial to warm in a desiccator before opening to minimize moisture uptake and condensation.
If supplied as a film or powder, initial dissolution is often facilitated by anhydrous DMSO, DMF, or ethanol, followed by dilution into assay buffers (ensure compatibility to avoid precipitation).
Record actual concentration using analytical balance and the exact MW from the CoA when preparing stock solutions.
Quality and Grades
Item-specific grade/purity
Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
How to interpret grade (general guidance)
Screening/library compounds are typically supplied at synthetic or research grade, with identity confirmation (e.g., NMR/HRMS) and purity by HPLC/LC–MS. Chromatographic purity often exceeds 95% for screening use, but verify lot-specific data on the CoA.
If UV-sensitive or air/moisture-sensitive functionalities are present (structure-dependent), stabilizers or special packaging (amber vials, inert gas backfill) may be used; check the label/CoA.
Recommended quality checks upon receipt
Verify lot-specific purity (HPLC/UPLC), identity (MS, NMR), and water content (Karl Fischer) if your application is sensitive. These values are not specified for this item; rely on the CoA.
For bioassays, confirm solubility in your vehicle (e.g., DMSO) and check for aggregate formation by light scattering or detergent-sensitivity controls.
Reaction and Applications
Manufacturer-stated applications
Manufacturer Applications: Not specified for this item in the catalog entry provided.
General applications (small-molecule research use)
Hit identification and SAR: Suitable as a component of small-molecule libraries for biochemical or cell-based screening (enzyme assays, receptor panels, phenotypic assays) subject to solubility and stability.
Analytical reference: Can serve as a reference standard for method development or retention-time markers once identity is confirmed.
Probe development workflows: If activity emerges in a screen, follow-on chemistry (analog synthesis, scaffold hopping) and orthogonal biophysical confirmation (thermal shift, SPR, ITC) are typical next steps.
Practical notes
Establish a validated assay window with proper vehicle controls (DMSO-only), solubility ceilings, and counter-screens to exclude assay interference (fluorescence quenchers, redox cyclers, PAINS motifs—structure dependent).
Confirm identity and purity of the working lot by LC–MS/NMR before biological conclusions.
For storage and plate handling, minimize freeze–thaw and evaporative drift; normalize concentrations across plates and include inter-plate standards.
Reaction Conditions
Item-specific optimal reaction conditions cannot be provided without structural information.
General guidance (literature-based, non-specific)
Cross-coupling (if aryl/heteroaryl halide present): Pd-catalyzed Suzuki–Miyaura (aqueous base, 40–90°C), Buchwald–Hartwig amination (ligand-enabled, 60–110°C), or Negishi/Stille/Kumada depending on organometallic partner.
Amide coupling (if carboxylic acid/amine present): HATU/HOAt or EDCI/HOBt alternatives; consider greener reagents (COMU, T3P) and minimize DMF by using MeCN/EtOAc where feasible.
Reductions/oxidations: Chemoselective reductions (NaBH4, BH3·THF, catalytic hydrogenation) or oxidations (Dess–Martin, TEMPO/bleach) applied according to functional groups; observe safety and compatibility.
Note: These are general, literature-level conditions and not specific to Exo-1 (CAS 461681-88-9). Consult the structure and CoA before any synthetic use.
Safety and Handling
GHS and hazard information (item-specific)
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 (not a substitute for SDS)
Handle in a chemical fume hood, avoiding inhalation of dusts/aerosols. Wear appropriate PPE: lab coat, safety glasses, and nitrile gloves. Consider double-gloving for prolonged handling of organic small molecules.
Avoid contact with strong oxidizers, strong acids/bases, and incompatibles indicated in the SDS. Do not mix with unknown reagents.
In case of skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing. Seek medical attention as needed.
Ingestion/inhalation: Move to fresh air; seek medical attention.
Special risks and practices
Unknown peroxide or polymerization risk: Without structure, assume no unusual stability; nonetheless, keep containers tightly closed, under inert gas if noted on CoA, and protected from moisture and light until identity-specific guidance is known.
Waste: Collect in halogenated or non-halogenated organic waste as appropriate; segregate according to site policies.
Always defer to the product’s Safety Data Sheet (SDS) for authoritative hazard, first-aid, and firefighting measures.
Solvent Selection
Item-specific solvent recommendations
Solubility: Not specified for this item; refer to CoA/Spec Sheet.
General solvent strategy for small molecules
Primary stock solvent: Anhydrous DMSO is often preferred for discovery compounds due to broad solvency, chemical compatibility, and biological assay compatibility at ≤0.5–1% v/v final.
Alternatives: DMF or NMP (for poorly soluble, polar compounds); ethanol or isopropanol for moderately polar organics; acetonitrile for HPLC compatibility; aqueous buffers with co-solvent or cyclodextrins for highly polar/ionic species.
Miscibility and polarity: Choose based on functional groups. Aromatic/halogenated scaffolds often need DMSO/DMF; salts/free bases may require pH adjustment.
Decision tips
Aim for 10–50 mM DMSO stocks; filter sterilize (0.22 µm PTFE) if needed and chemically compatible.
For analytical QC, use acetonitrile/water with 0.1% formic acid or ammonium acetate as appropriate for LC–MS.
Avoid high-temperature dissolution until thermal stability is confirmed (check CoA/SDS).
Storage and Reconstitution
Item-specific instructions (from Product Data)
Storage: Store at -20°C.
Shipping: Shipped in an ice chest with ice pads to maintain a cold chain.
General best practices
Keep tightly sealed in the original container, protected from moisture and light. If hygroscopic or light-sensitive (structure-dependent), consider desiccant storage and amber vials.
Upon first receipt, allow the vial to equilibrate to room temperature in a desiccator before opening to avoid condensation.
Reconstitution: Not specified for this item; refer to CoA/Spec Sheet. Commonly, prepare a DMSO stock solution (e.g., 10–50 mM) using the exact molecular weight from the CoA, then aliquot and refreeze at -20°C.
Freeze–thaw: Minimize cycles by storing single-use aliquots. Avoid frost accumulation; use dry ice or a pre-chilled cold block during handling.
Stability: Not specified for this item; refer to CoA/Spec Sheet for retest date and any sensitivity to air, moisture, or light.
Research use note
For research use only. Not for human or veterinary use.
Structure and Identity
Item-specific facts (from Product Data)
Product name: Exo-1 (SKU: E274910)
CAS: 461681-88-9
PubChem CID: 310557
InChIKey: 180627
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.
Structural description
Functional groups, ring systems, and stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.
2D structure in words: Structural features cannot be described without a provided structure. Please consult the Certificate of Analysis (CoA) or specification sheet for the definitive structural representation.
Notes
Category: Small molecule, library compound (as listed under 小分子和化合物库).
Identity confirmation should rely on primary characterization data (e.g., 1H/13C NMR, HRMS, HPLC/LC–MS) provided on the CoA for the specific lot.
Synthetic Utility
Item-specific reactivity
Functional group profile and synthetic handles: Not specified for this item; refer to CoA/Spec Sheet.
General considerations
If Exo-1 is to be used as a synthetic intermediate, identify the key reactive moieties (e.g., aryl halides, heteroaryl cores, carbonyls, amines) from the structure and plan transformations accordingly (cross-coupling, amide coupling, nucleophilic substitutions, reductions/oxidations).
Protecting-group strategy and chemoselectivity should be guided by functional group compatibility and any base/acid sensitivity indicated in the SDS/CoA.
Analytical support
Track reactions by LC–MS for rapid mass-confirmation and by UPLC for purity; assign structures with 1D/2D NMR when possible.
Pay attention to potential tautomerism or atropisomerism in heteroaromatics, which can influence NMR interpretation and reactivity.
Target Specificity
Item-specific data
No target, enzyme, receptor, or pathway specificity is provided for this item. There are no antigen/epitope details as this is not a biological antibody or protein reagent.
Guidance for users
If used in screening, determine target specificity empirically via profiling panels, selectivity counterscreens, or chemoproteomics once preliminary activity is observed.
Reported targets (if any) for CAS 461681-88-9 should be confirmed from primary literature and cross-validated with orthogonal assays. None are provided here.
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