RX 67668 , CAS No.40709-76-0

CAS: 40709-76-0 Cat. No.: R1445614 Formule: C₁₆H₂₄ClN Poids moléculaire: 265.82

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

RX 67668 is a potent cholinesterase inhibitor with an IC 50 of 5 μM for both acetylcholinesterase ( AChE ) and butyrylcholinesterase. RX 67668 can reverse the neuromuscular blockade induced by D-tubocurarine. RX 67668 is a muscle relaxant used to relieve skeletal muscle fatigue.

Specifications

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.

Noms et identifiants

Poids moléculaire

265.82

Application Protocols

No tested applications or protocols are provided for RX 67668. This listing does not include validated use-cases.

General handling for screening compounds

• Stock preparation: Dissolve in dry DMSO to a convenient concentration (commonly 10–50 mM), vortex and, if needed, sonicate briefly. Filter 0.2 µm for bioassays.
• Plate handling: Dispense using acoustic or pin tools to maintain low vehicle percentages; seal plates to limit evaporation.
• Stability: Minimize freeze–thaw by aliquoting stocks; track cumulative thaw cycles.
• Documentation: Record lot number, preparation date, solvent lot, and storage conditions in your ELN.

Assay-specific notes

• Biochemical enzyme assays: Establish time-linear conditions, include detergent if aggregation is suspected, and perform counter-assays for redox/fluorescence interference.
• Cell assays: Verify absence of precipitation at working dilutions; include vehicle-only controls.

Reminder

• For any application, defer to your lab’s validated protocols. No item-specific recommendations can be made without structural and property data.

Biological Roles

Biological function, target class, and pathway engagement for RX 67668 are not provided. No claims are made regarding biological activity. The product is for research use only.

General considerations for small molecules in biological research

• If used in screening, establish cytotoxicity windows across relevant cell lines and counter-screens for assay interference (auto-fluorescence, redox cycling, colloidal aggregation).
• Determine chemical liabilities using in vitro stability tests: microsomal stability, plasma stability, and protein binding if ADME profiling is relevant to your study. These are optional and not implied for this item.
• Monitor for pan-assay interference characteristics (PAINS) using substructure filters once structure is available; follow up with orthogonal assays.

Assay hygiene

• Maintain consistent vehicle controls (DMSO percentage), prefilter solutions, and verify solubility at working concentration to avoid artifact signals.

Documentation

• Upon receiving the CoA/structure, annotate your electronic lab notebook with the exact batch, stock concentration, and storage conditions to ensure traceability of any observed biological effects.

Buffer Applications

Buffer system design is typically relevant for acids, bases, zwitterions, or buffering salts. RX 67668 is a small-molecule library member with unknown acid/base properties in this listing; no buffer capacity or recommended buffer systems can be specified.

Guidance if using in buffered assays (general)

• Use neutral buffers such as 10–50 mM HEPES or phosphate at pH 7.2–7.4 for most biochemical assays unless the target requires a specific pH.
• Prepare concentrated stocks in DMSO and dilute into buffer immediately before use to minimize precipitation.
• If the compound is acid- or base-labile (unknown here), avoid extreme pH and high ionic strength.
• Filter and degas buffers to reduce particulates and bubble formation in microplates and flow systems.

Conclusion

• No item-specific buffer recipes apply. Refer to your assay’s established buffer conditions and verify compatibility once the compound’s pKa/solubility profile is known.

Green Alternatives

Without knowing the structure or solvent requirements of RX 67668, green chemistry considerations can only be framed generally. The goal is to maintain performance while reducing hazard, waste, and energy demand.

General solvent substitution hierarchy (literature-based)

• Prefer water, bio-based alcohols (EtOH, i-PrOH), and green ethers (2-MeTHF, CPME) when compatible.
• Replace chlorinated solvents (DCM, chloroform) with ethyl acetate, dimethyl carbonate, or toluene where feasible.
• Swap DMF/NMP for safer dipolar aprotics (propylene carbonate, sulfolane, Cyrene) as reaction compatibility allows.

Operational improvements

• Run at higher substrate concentration to minimize solvent volume.
• Use continuous-flow or microwave heating to reduce energy/time, if chemistry permits.
• Select catalytic over stoichiometric reagents; employ recyclable catalysts.

Comparison snapshot (generic)

• DCM vs EtOAc: EtOAc offers lower toxicity and better environmental profile but may alter extraction selectivity.
• THF vs 2-MeTHF: 2-MeTHF is more hydrophobic and derived from renewable feedstocks; note different miscibility and peroxide tendencies.

Next steps

• Once the functional groups of RX 67668 are confirmed, map solvent and reagent choices to the CHEM21/ACS solvent guides and adjust workups to minimize environmental impact.

Pharmaceutical Uses

No excipient role, formulation use, or pharmacopeial status is provided for RX 67668. This product is supplied strictly for research use only and is not intended for human or veterinary use.

General context (for researchers)

• If the molecule is later considered for preformulation studies, obtain comprehensive data: solid form (polymorph/amorphous), pKa, logP/logD, solubility vs pH, and stability (thermal/light/oxidative). None of these data are specified here.
• Early developability screens often include salt/form selection, hygroscopicity assessment, and compatibility with common excipients; these activities are not implied or validated for this item.

Regulatory note

• Without defined quality attributes aligned to pharmacopeial monographs (USP/EP/JP), RX 67668 should not be used in any clinical or manufacturing context.

Recommendation

• Restrict use to discovery research. If translational work is anticipated, contact us to discuss availability of GMP or higher-grade material and expanded analytical packages under a separate part number.

Physical Properties

Item-specific physicochemical properties were not supplied with this listing. Do not treat the following placeholders as specifications.

Item-specific (from 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.

Commonly requested properties (status for this item)

• Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (BP): 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.
• LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• pKa: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• UV-Vis cutoff/absorptivity: Not specified for this item; refer to CoA/Spec Sheet.

Practical notes (general, literature-based)

• For unknown solids, begin with a micro-solubility screen across DMSO, MeOH, ACN, DMF, water, and PBS to establish working stocks for assays.
• If LC–MS analytics are planned, prefer volatile mobile-phase systems (e.g., MeOH/ACN with 0.1% FA or NH4OAc). Record retention and mass response for future QC.
• If the material is amorphous or hygroscopic (unknown here), handle quickly at ambient and store under dry inert atmosphere when feasible.

Quality and Grades

Grade/purity information is not included in this listing.

Item-specific status

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.

How to interpret grades (general guidance)

• Screening/compound library items are typically supplied at research grade with purity verified by HPLC or UPLC (often ≥90–98% area by a single method). The exact assay, solvent system, and detection wavelength should be stated on the CoA.
• If your application is analytical or requires photochemical precision, ask for UV cutoff data and residual solvent content.
• For medicinal chemistry, request full analytical package: HPLC chromatogram with conditions, 1H/13C NMR, HRMS, water by KF, residual solvents by GC, and salt/form reporting.

Stabilizers and additives

• Stabilizers, counterions, and salt forms can materially affect solubility and assay behavior. For this item, stabilizers/salt form are not specified; check the CoA.

Batch-specific traceables

• Lot number, manufacturing date, and analytical release limits should be captured on the CoA. If you need specification-based supply (e.g., ≥98% purity, ≤0.5% water), contact us to align release criteria prior to shipment.

Reaction and Applications

No structural information is provided; thus, specific reaction roles cannot be assigned for RX 67668. The compound is cataloged within a small-molecule/compound library context and is intended for research use only.

General use paradigms for library compounds

• Biochemical or cell-based screening: Prepare DMSO stocks (e.g., 10 mM) and evaluate in target assays, ensuring solubility and vehicle controls.
• Analytical fingerprinting: Establish HPLC/UPLC retention time and MS ionization behavior for QC and plate-mapping.
• Profiling: Use orthogonal assays (thermal shift, SPR/biolayer interferometry, enzyme kinetics) when molecular target hypotheses exist.

Synthetic applications (conditional)

• If the structure contains reactive handles (e.g., aryl halide, alkene, amine, acid), it may serve as a building block for SAR expansion. Without structure, no named-reaction guidance can be provided; consult the CoA/structure prior to planning couplings or derivatizations.

Good practices

• Perform a micro-stability test in assay buffer (time-course LC) to check for hydrolysis/oxidation.
• Check for aggregation (e.g., using detergent controls or DLS) if apparent promiscuous inhibition is observed.
• For light-sensitive chromophores (unknown here), protect from light during assays.

Reaction Conditions

Specific reaction conditions cannot be provided without the structure of RX 67668. Below is general, literature-informed guidance for planning reactions once functional groups are known.

General condition scaffolds

• Cross-coupling (if aryl/vinyl halide present): Pd catalysts (e.g., Pd2(dba)3/XPhos or Pd(PPh3)4), base (K3PO4, Cs2CO3), solvent (dioxane, toluene, or 2-MeTHF), 60–110°C. Air/moisture sensitivity varies.
• Amide coupling (if acid/amine present): HATU, T3P, or EDCI with HOAt/HOBt alternatives; DMF/MeCN/DCE or greener options (EtOAc, 2-MeTHF). Control base and temperature to minimize racemization where chiral centers exist.
• Hydrogenation (if reducible unsaturation/nitro): Pd/C or Raney Ni in EtOH/EtOAc/AcOH under H2 (1–10 bar), ambient to 50°C, with careful gas handling.
• Nucleophilic substitutions: Polar aprotic solvents (MeCN, DMF) with appropriate leaving groups; phase-transfer catalysis for biphasic conditions.

Analytical controls

• Monitor by LC–MS/HPLC; calibrate gradients and detection wavelengths once UV profile is known.
• Confirm conversion and purity with orthogonal methods (NMR, GC where volatile).

Safety note

• Reagent and solvent selection should be re-optimized based on the confirmed structure and any hazardous functional groups (e.g., azides, peroxides, nitroso species).

Safety and Handling

Hazard classification was not provided for this item. Always consult the product-specific SDS before handling.

GHS information (item-specific)

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

General laboratory precautions (good practice)

• Wear appropriate PPE: lab coat, safety glasses, and nitrile gloves at minimum. Upgrade to splash goggles and face protection for scale-up or when aerosol/particle generation is possible.
• Work in a chemical fume hood until volatility, dusting, and toxicity are known.
• Avoid inhalation of dust or vapors; prevent skin and eye contact. Do not ingest. For unknowns, treat as potentially harmful/irritant.
• Incompatibilities cannot be inferred without structure; segregate from oxidizers, strong acids/bases, and reducing agents until data are available.

First-aid overview (defer to SDS for definitive guidance)

• Inhalation: Move to fresh air, monitor breathing, seek medical attention.
• Skin contact: Remove contaminated clothing, wash with soap and water for 15 minutes.
• Eye contact: Rinse cautiously with water for at least 15 minutes; remove contact lenses if present and easy.
• Ingestion: Rinse mouth, do not induce vomiting unless directed by medical personnel.

Spill/fire

• Small spill: Absorb with inert material; collect in sealed container for disposal.
• Fire: Use CO2, dry chemical, or foam. Unknown combustion products—wear SCBA.

Solvent Selection

This product’s polarity and functional groups are not provided, so solvent guidance must be generic. Use an empirical solubility screen to establish stock solution conditions.

General approach for small molecules

• Initial screen: DMSO (most universal), DMF, methanol, acetonitrile, ethanol, isopropanol, ethyl acetate, acetone, toluene, and water/PBS.
• Stepwise strategy:
  • Begin with DMSO at 10–50 mg/mL; dilute into aqueous buffers last to mitigate precipitation.
  • If base- or acid-sensitive motifs are suspected, avoid strong pH adjustments; use buffered systems (e.g., 10–50 mM phosphate or HEPES).
  • For lipophilic solids, leverage co-solvent systems (e.g., 5–20% DMSO or 10–30% ACN in buffer) or cyclodextrin carriers in screening contexts.

Small comparison (general, literature-based)

• DMSO: very broad solubilizer; high boiling, hygroscopic; cell-compatible at ≤0.5–1% v/v in many assays.
• DMF: strong solvent, but more toxic; suitable for synthetic steps and stock preparation.
• MeOH/EtOH: good for polar organics; volatile and assay-friendly at low percentages.
• ACN: volatile, LC-friendly; limited for very hydrophobic solids.

Practical tips

• Filter 0.2 µm before bioassays to remove particulates.
• Record solvent lot and water content for reproducibility.
• If precipitation is observed upon dilution, titrate co-solvent percentage or reduce stock concentration.

Storage and Reconstitution

Item-specific storage and shipping information are provided; reconstitution details depend on solubility, which is not specified.

From Product Data (item-specific)

• Storage conditions: Store at −20°C.
• Shipped in: Ice chest + ice pads.

General storage guidance for small molecules

• Keep tightly closed in the original container, protected from moisture and light. If hygroscopic or light-sensitive (unknown here), consider desiccation and amber protection.
• After opening, allow the container to equilibrate to room temperature before unsealing to prevent moisture condensation.
• For long-term storage, aliquot into inert vials under dry nitrogen or argon to minimize headspace oxygen and freeze–thaw cycles.

Reconstitution (general)

• Solvents: Start with anhydrous DMSO for stock solutions; alternative solvents (DMF, MeOH, ACN) may be used based on solubility once known.
• Concentration: Common screening stocks are 10–50 mM; adjust based on assay and solubility. Document exact concentration by weight/volume with correction for purity when available from the CoA.
• Stability: If stability is unknown, prepare small aliquots and store at −20°C; avoid repeated thawing. Discard if discoloration, precipitate (unexpected), or significant LC–MS degradants are observed.

Disposal

• Dispose of residues and solutions according to institutional chemical waste protocols and the SDS once available.

Structure and Identity

RX 67668 (SKU: R1445614) is listed in our small-molecule/compound library portfolio; however, structure-resolution data are not provided in this listing.

Item-specific identifiers (from Product Data):

• CAS: 40709-76-0
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: 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

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

How to verify identity (general guidance)

• Request the current CoA/Spec Sheet for the exact batch to obtain MF, MW, SMILES/InChIKey, and NMR/LC–MS traces.
• Cross-check the CAS against internal LIMS records or trusted databases when available. Where multiple registry entries exist under a CAS, confirm the structural isomer intended for your application.
• If you will derivatize or scale chemistry, acquire full spectral characterization (1H/13C NMR, HRMS, IR) and confirm purity/identity by orthogonal methods (HPLC or GC where applicable).

Synthetic Utility

The absence of structural information precludes specific synthetic roles for RX 67668. As listed, it is a research-use small molecule with unspecified functionality.

General strategic notes (conditional on structure)

• Electrophiles (e.g., aryl/vinyl halides, sulfonates) enable cross-couplings (Suzuki–Miyaura, Buchwald–Hartwig, Sonogashira) and nucleophilic substitutions. Bases/solvents and catalyst choice would depend on substitution pattern and heteroatoms.
• Nucleophiles (amines, alcohols, thiols) allow amide/ester/ether formation via coupling reagents or alkylation. Protecting-group strategies may be necessary if multiple reactive sites exist.
• Carbonyl-containing scaffolds engage in condensations (aldol, Knoevenagel), reductions (hydride, catalytic hydrogenation), and imine/enamine chemistry.

Workflow recommendations

• Upon receipt of the CoA with structure, map functional handles, then design a minimal SAR set by conservative changes (halogen swaps, small alkyl/alkoxy moves) to probe potency/solubility if medicinal chemistry is intended.
• Establish a stability profile under common synthetic conditions (acidic/basic workups, oxidants, reductants) before route scouting.

Caveat

• Do not commit to named-reaction conditions without verifying that the scaffold tolerates the thermal and pH environment required.

Target Specificity

Target, binding site, and selectivity data are not provided for RX 67668. No assertions are made regarding biological targets or specificity.

Guidance for researchers (general)

• If target engagement is hypothesized, use orthogonal readouts (biochemical potency, biophysical confirmation such as DSF/SPR, and cellular pathway modulation) and counterscreens to exclude assay interference.
• Generate preliminary selectivity panels relevant to the target class (e.g., kinases, GPCRs, proteases) only after the structure and assay behavior are characterized.

Conclusion

• Item-specific target specificity information is not available; refer to your internal data or contact us if a targeted variant exists under a different catalog number.

Foire aux questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 40709-76-0, the molecular formula is C16H24ClN, and the molecular weight is 265.82 g/mol.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.