(Rac)-GR218231 , CAS No.175442-95-2

CAS: 175442-95-2 Cat. No.: R1429935 Formula: C₂₄H₃₃NO₃S Peso molecolare: 415.59

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

(Rac)-GR218231 is a selective dopamine D3 receptor antagonist with a pK i of 8.9.

Specifications

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

ANTAGONIST

Nomi e identificatori

Peso molecolare

415.59

Application Protocols

No item-specific validated protocols (e.g., assay formats, dilutions, or detection methods) are provided in the Product Data for (Rac)-GR218231. The steps below outline general, non-validated procedures suitable for many small-molecule research compounds (literature/general):

• DMSO stock preparation:

  1. Equilibrate vial to room temperature in a desiccated environment.
  2. Add anhydrous DMSO to achieve 10–50 mM concentration; vortex and, if needed, sonicate or gently warm (≤40°C) to dissolve.
  3. Aliquot into low-bind microtubes; flush headspace with inert gas if oxidation sensitivity is suspected; store at −20°C.

• Aqueous dilution for assays:

  1. Pre-dilute stock 1:10–1:100 in assay buffer containing final vehicle and optional 0.01–0.05% nonionic surfactant.
  2. Mix thoroughly to avoid precipitation; inspect for clarity.
  3. Maintain constant final DMSO across controls and treated samples (typically ≤0.5–1.0% v/v).

• Integrity checks:

  • Verify by LC-MS/HPLC pre- and post-assay where feasible.
  • Use duplicate plates/wells to assess reproducibility and vehicle effects.

Note: For any item-specific recommendations (e.g., light protection, exact stock concentrations, known incompatibilities), consult the CoA/Spec Sheet. This product is for research use only.

Biological Roles

Item-specific biological target or mode of action is not provided for (Rac)-GR218231. The guidance below reflects general considerations for racemic small-molecule tools used in research (literature/general):

• Enantiomeric effects: Enantiomers often display distinct target affinities, efficacies, and metabolic profiles. Initial assays with racemates can reveal activity but may mask stereospecific interactions. If activity is detected, isolate or synthesize each enantiomer for clarity in mechanism-of-action studies.
• Assay context: Employ tiered evaluation (biochemical binding/activity → biophysical confirmation → cellular phenotype) to mitigate artifacts (e.g., aggregation, redox cycling, off-target fluorescence).
• ADME-relevant traits: Protein binding, membrane permeability, and chemical stability (oxidation, hydrolysis, photolysis) influence apparent activity in cells. Where possible, include counterscreens and solubility/permeability assessments (e.g., kinetic solubility, PAMPA) for interpretation.
• Target deconvolution: Use orthogonal methods such as CETSA or thermal profiling, chemical proteomics (if tagging is feasible), or CRISPR-based genetic interaction mapping to interrogate specificity.

Research-use restriction:

• For research use only. Not for human or veterinary use, diagnostics, or clinical applications.

Documentation:

• For any batch-specific target information (if provided in future updates), consult the product’s CoA/Spec Sheet or contact technical support.

Buffer Applications

This product is a small-molecule research compound, not a buffering agent. However, practical buffer-related guidance is often necessary for assay deployment (literature/general):

• Stock solutions: Prepare concentrated stocks in anhydrous DMSO (e.g., 10–50 mM). Store at −20°C in small aliquots to minimize freeze–thaw.
• Aqueous dilution: Add DMSO stocks to pre-warmed assay buffer with vigorous mixing to avoid local supersaturation. Typical final DMSO ≤0.5–1.0% v/v; confirm vehicle tolerance for your system.
• Common assay buffers: HEPES (pH 7.2–7.5), PBS (pH ~7.4), or Tris (pH 7.4–8.0) depending on target; supplement with 0.01–0.05% nonionic surfactant to reduce adsorption/aggregation if allowed by the assay.
• Precipitation control: If cloudiness or precipitate is observed, lower the top concentration, increase dilution steps, or introduce a compatible co-solvent fraction (maintaining constant vehicle across wells/conditions).
• Adsorption mitigation: Precondition plastic labware with dilute vehicle; use low-bind tips and plates for hydrophobic analytes.
• Filtration: 0.2 µm filtration after dilution (where compatible) can remove particulates without substantial compound loss; verify recovery.

Note: No item-specific buffer capacity, pKa, or ionic properties are provided for this SKU; consult the CoA/Spec Sheet if such data become available.

Green Alternatives

As (Rac)-GR218231 is a discrete small molecule (not a solvent or bulk reagent), green-chemistry considerations mainly concern its handling solvents and workflows rather than substitution of the compound itself (literature/general).

Greener handling choices for solution preparation and assays:

• Prefer water-rich media where solubility and assay biology permit; minimize DMSO to ≤0.5% v/v when possible.
• If high solvating power is required, consider bio-based or lower-toxicity co-solvents in microdoses, evaluating assay compatibility (e.g., glycerol, PEG 200/400 at low %).
• Avoid DMF/NMP in biological contexts due to higher toxicity; if necessary for stock prep, back-dilute into DMSO and then into buffer to reduce exposure.
• Use miniaturized assay formats (384/1536-well) to reduce solvent use and waste.

Illustrative comparison (general; not item-specific):

• DMSO vs 2-MeTHF: DMSO is preferred for stocks and aqueous dilution; 2-MeTHF is a greener organic reaction solvent, but rarely suitable for biological assay dosing.
• Acetonitrile vs ethanol: Ethanol may be preferable for certain extractions due to lower toxicity, provided solubility and readout allow.

Operational greening:

• Implement solvent recycling where feasible, and segregate halogenated/non-halogenated waste streams.
• Use energy-efficient storage (consolidated −20°C units) and plan aliquot sizes to minimize freeze–thaw-induced waste.

Always revalidate assay performance after any solvent substitution.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation specification is provided for (Rac)-GR218231 in the Product Data. The compound is offered strictly for research use only.

General context for discovery workflows (literature/general):

• Preclinical research compounds like this are commonly employed in target validation, SAR exploration, and proof-of-concept studies in vitro. They are not manufactured to GMP standards and are not intended for any clinical or diagnostic use.
• If formulation studies are pursued in a research setting (e.g., to enable in vivo exploratory pharmacology in non-GLP studies), typical approaches include DMSO/PEG/saline vehicles, cyclodextrin inclusion complexes, or lipid-based carriers. Such work requires independent suitability assessments and is outside the scope of the catalog specification.

Documentation and restrictions:

• No USP/EP/JP monograph alignment is claimed. No dosage, safety, or efficacy information for human/animal use is provided or implied.
• For any scale-up or regulated use scenarios, alternative sourcing and quality systems (GMP, stability programs, validated methods) would be required.

Conclusion:

• Use this material as a research tool in appropriate laboratory settings. For any potential translational considerations, generate fresh data packages and do not rely on catalog materials for clinical development.

Physical Properties

Item-specific properties (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.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• 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.
• Refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for small-molecule library compounds (literature/general):

• Many screening compounds are supplied as crystalline solids or foams; solubility is commonly adequate in polar aprotic solvents (DMSO, DMF) and may vary in aqueous buffers depending on ionizable groups.
• Stock solutions are often prepared at 10–50 mM in anhydrous DMSO, then diluted into assay buffers to final DMSO ≤0.5–1% v/v to minimize vehicle effects.
• Hygroscopicity and polymorphism can influence apparent MP and handling; record any observations upon receipt and during use.

Best practices:

• Verify solubility empirically in intended assay media; if precipitation occurs on dilution from DMSO, consider co-solvent microdosing, pH adjustment (if applicable), or surfactant (e.g., 0.01–0.05% Tween-20) as assay-permissible.
• For any batch-specific numeric specifications (e.g., water content, residual solvents), consult the CoA/Spec Sheet for this SKU (R1429935).

Quality and Grades

Item-specific grade/purity (from Product Data):

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

How to interpret grades and purity for compound-library materials (general guidance):

• Screening/HTS grade typically emphasizes chemical identity and purity sufficient for biochemical or cell-based assay exploration, with documentation such as HPLC/UPLC purity and HRMS/ESI-MS confirmation. Where available, NMR (1H/13C) and water/residual solvent data further substantiate quality.
• If “racemic” is specified (as here), the sample contains both enantiomers; chiral purity (enantiomeric ratio) is generally not controlled unless separately stated. Follow-up work may require chiral separation and independent CoAs for each enantiomer.
• For applications sensitive to trace impurities (e.g., biophysical binding, photoredox assays, or covalent screens), request analytical traces and impurity profiles.

Recommended verifications upon receipt (best practices):

• Confirm identity and purity against the batch CoA using orthogonal methods where appropriate (e.g., LC-MS, HPLC, 1H NMR). Verify absence of degradation after shipping/storage.
• Document solid form (crystalline vs. amorphous), color, and any odor; note hygroscopicity.
• If UV-based analytics are planned, check UV cutoff/absorbance profile on the Spec Sheet; if not provided: Not specified for this item; refer to CoA/Spec Sheet.

For regulatory or GLP contexts, specify documentation needs in advance to ensure batch selection and certification meet your program requirements.

Reaction and Applications

Item-specific synthetic-reagent roles are not provided and (Rac)-GR218231 is cataloged as a small-molecule/compound-library member rather than a general-purpose reagent. The following focuses on research applications relevant to screening and discovery (literature/general):

• Assay screening: Suitable for use as a test article in biochemical, biophysical, or cell-based assays to probe target engagement, pathway modulation, or phenotypic outcomes under research-use-only conditions.
• SAR development: Racemates are commonly profiled to establish preliminary activity; if activity is observed, chiral resolution or enantioselective synthesis can reveal potency and selectivity differences between enantiomers.
• Mechanistic studies: Use in target deconvolution workflows (e.g., CETSA, DARTS, chemoproteomics) after confirming assay robustness and vehicle compatibility.
• Orthogonal confirmations: Pair functional readouts with binding techniques (SPR, ITC, DSF) where appropriate to reduce false positives.

Not typically applicable:

• Named reactions, catalysts, or stoichiometric uses are not generally relevant for this SKU as a substrate/reagent; it is not positioned as a building block or solvent.

Practical considerations:

• Establish compound integrity via LC-MS/HPLC before screening.
• Verify DMSO concentration tolerances for your biological system.
• If solubility is limiting, explore serial dilution from concentrated DMSO stocks and consider gentle heating (≤40°C) for dissolution, avoiding prolonged exposure that may promote degradation.

Reaction Conditions

(Rac)-GR218231 is not presented as a synthetic reagent or coupling partner in this catalog entry, and no reaction condition data are supplied. Therefore, reagent-centric guidance (e.g., bases, catalysts, or temperature windows for transformations) is not applicable.

For research use in assays (literature/general):

• Solution preparation: Dissolve in anhydrous DMSO at 10–50 mM; sonication or brief warming (≤40°C) can assist dissolution. Avoid prolonged heating.
• Assay dosing: Typical final vehicle ≤0.5–1.0% DMSO v/v; confirm tolerance and maintain constant vehicle across controls and test wells.
• Light/oxidation sensitivity: If unknown, handle under ambient light minimization and inert gas where feasible for stock preparation; store aliquots at −20°C.
• Stability checks: Use LC-MS or HPLC at t = 0 and after assay run to verify integrity; monitor potential adsorption to plastics and precipitation.

If synthetic manipulation is intended (general planning only):

• First secure structural information (SMILES/InChI) and CoA. Perform small-scale scouting to define solvent compatibility and stability under acid/base and oxidative/reductive conditions.

Conclusion:

• Without structure-specific data, limit activities to solution preparation and assay deployment under conservative, stability-preserving conditions, and consult the CoA/Spec Sheet for any batch-specific reactivity notes.

Safety and Handling

Item-specific hazard information (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: Not specified for this item; refer to SDS.
• Pictograms: Not specified for this item; refer to SDS.

General laboratory safety (literature/general):

• Handle small-molecule screening compounds in a chemical fume hood with appropriate PPE: lab coat, safety glasses or goggles, and suitable chemically resistant gloves (e.g., nitrile). Avoid inhalation of dusts/aerosols and contact with skin/eyes.
• Prevent ingestion and environmental release. Use secondary containment for solutions.
• If dissolved in DMSO or other aprotic solvents, remember these vehicles can enhance dermal absorption; practice extra caution with glove integrity and contact time.

First aid (overview; defer to SDS):

• Skin/eye contact: Rinse immediately with plenty of water for at least 15 minutes; remove contaminated clothing; seek medical advice.
• Inhalation: Move to fresh air; monitor breathing; obtain medical attention if symptoms persist.
• Ingestion: Rinse mouth; do not induce vomiting unless directed by medical personnel; seek medical attention.

Storage incompatibilities and stability (general):

• Store sealed, desiccated, and protected from light where feasible. Avoid strong oxidizers and strong acids/bases unless compatibility is known.
• Observe cold storage guidance from Product Data: Store at −20°C. Minimize freeze–thaw; aliquot solutions.

Always consult the product-specific SDS and CoA/Spec Sheet for authoritative hazard and handling instructions.

Solvent Selection

Item-specific solubility data are not provided. The guidance below reflects general practice for small-molecule research compounds (literature/general):

• Primary solvent for stocks: Anhydrous DMSO is typically preferred due to broad solvating power and assay compatibility; common stock concentrations: 10–50 mM.
• Alternative polar aprotics: DMF, NMP, or propylene carbonate can be useful for particularly lipophilic or poorly soluble scaffolds; verify cytotoxicity compatibility if using in cellular assays.
• Co-solvent strategies for aqueous assays: Microdosing of DMSO (≤0.5–1% v/v final), with optional addition of 0.01–0.05% non-ionic surfactant (e.g., Tween-20 or Pluronic F-127) can mitigate precipitation or adsorption.
• Aqueous buffers: Solubility is strongly dependent on ionizable functionalities. If acid/base groups are present (unknown here), mild pH adjustment within assay tolerance can increase solubility; avoid extremes that affect target or readout.

Simple comparison (general):

• DMSO: highest solvency, easy freezing at ≤−20°C, but may enhance dermal absorption; handle carefully.
• DMF/NMP: strong solvents but more hygroscopic and with higher toxicity concern; typically avoided in live-cell assays.
• Ethanol/PEG400: acceptable in some biological contexts; check vehicle tolerance; viscosity of PEG can complicate pipetting.

Practical tips:

• Filter 0.2 µm when feasible to remove particulates after dilution.
• Pre-wet plasticware with dilute vehicle to reduce adsorption of hydrophobic compounds.
• Record exact solvent lot and water content for reproducibility.

Storage and Reconstitution

Item-specific storage and shipping (from Product Data):

• Storage conditions: Store at −20°C.
• Shipped in: Ice chest + ice pads (cold chain maintained).

General best practices for small-molecule research compounds (literature/general):

• Solid storage: Keep the container tightly closed under inert atmosphere or dry air with desiccant. Protect from light when feasible. Allow vial to reach room temperature before opening to prevent moisture condensation.
• Solution storage: Prepare concentrated stocks in anhydrous DMSO (e.g., 10–50 mM). Dispense into single-use or limited-use aliquots to minimize freeze–thaw. Store at −20°C. Record preparation date, solvent, and concentration on the label.
• Freeze–thaw management: Avoid repeated cycles; thaw on ice or at room temperature, mix gently, and promptly return unused aliquots to −20°C. Discard if precipitate persists or if LC-MS/HPLC indicates degradation.
• Light/oxidation precautions: If sensitivity is unknown, use amber vials, minimize light exposure, and consider inert-gas overlay for solutions.

Reconstitution notes:

• If dissolution is sluggish, brief sonication or warming (≤40°C) can help; do not overheat. Verify complete dissolution visually and, when critical, by analytical means.

Documentation:

• Any item-specific parameters such as water content limits, residual solvents, or stabilizers: Not specified for this item; refer to CoA/Spec Sheet.

For research use only. Not for human or veterinary use.

Structure and Identity

Brief overview: (Rac)-GR218231 is supplied as a racemic small-molecule research compound. Detailed structural identifiers for this catalog item are not provided in the current listing.

• CAS: 175442-95-2 (item-specific, provided)
• Chemical name: 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.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• Stereochemistry: Racemic mixture (contains both enantiomers in approximately 1:1 ratio) — item-specific note based on the racemic designation in the product name.

General chemistry context (literature/general):

• “Rac-” denotes the presence of two enantiomers that may exhibit different binding affinities, potencies, or ADME characteristics. For screening campaigns, racemates are often used initially, with subsequent chiral resolution for follow-up SAR.
• Typical 2D description for racemates: one or more stereogenic centers exist in the core scaffold; the 2D drawing shows wedged/dashed bonds at these centers but does not convey enantiomeric enrichment.

Practical note:

• If structural identifiers (SMILES/InChI) are required for computational work or registry, request the current CoA/Spec Sheet or contact Aladdin Scientific technical support for the latest batch-specific data.

Synthetic Utility

Item-specific functional group composition and reactivity are not provided for (Rac)-GR218231. This SKU is positioned as a research compound rather than a synthetic reagent. Accordingly, its primary value lies in biological testing rather than as a building block or catalyst.

General considerations for racemic small molecules (literature/general):

• If downstream chemistry is envisioned (e.g., SAR expansion), identify the scaffold’s diversification vectors via retrosynthetic analysis and derive analog series from plausible disconnections (halogen, nitrile, amide, sulfone, heteroaryl handles, etc.). Without the structure, these are conceptual only.
• Chiral resolution: Should one enantiomer prove superior in activity, apply chiral chromatography or asymmetric synthesis routes to access single-enantiomer material for advanced profiling.
• Probe optimization: Introduce solubilizing groups, reduce structural alerts (e.g., PAINS motifs), and tune physicochemical properties (clogP, pKa) to balance potency and assay compatibility.

Not typically applicable for this listing:

• Named reaction participation, catalytic behavior, or general-purpose reagent use cannot be recommended without structural details.

Actionable next steps:

• Obtain structural identifiers (SMILES/InChI) and CoA analytics to plan any synthetic follow-up or analog design. Confirm chemical stability windows (light, pH, oxidation) before attempting derivatization or conjugation chemistry.

Target Specificity

Item-specific target, binding profile, or selectivity data are not provided for (Rac)-GR218231 in the Product Data.

What this means for users (literature/general):

• Treat the compound as an uncharacterized or partially characterized screening tool unless your program has independent data. Build a data package including potency (IC50/EC50/Kd), efficacy, and off-target panels as needed for your application.
• If stereoselective interactions are suspected, isolate enantiomers for comparative profiling.
• Use orthogonal assays (e.g., biochemical vs. biophysical vs. cellular) and incorporate appropriate counterscreens to control for assay interference mechanisms (aggregation, fluorescence/absorbance overlap, redox activity).

Documentation:

• If Aladdin subsequently provides target annotations or literature references for this CAS (175442-95-2), these should be considered batch- and context-dependent. Always consult the latest CoA/Spec Sheet and SDS.

Summary:

• Target specificity for this SKU: Not specified for this item; refer to CoA/Spec Sheet.