UCB-J - ≥99% , CAS No.2242957-52-2

CAS: 2242957-52-2 Cat. No.: U647468 Fórmula: C₁₇H₁₅F₃N₂O Peso molecular: 320.31

CALIDAD & PUREZA ≥99%

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Descripción general

UCB-J is a positron emission tomography (PET) radioligand for the synaptic vesicle protein 2A (SV2A).

In Vivo

UCB-J exhibits high free fraction (0.46 ± 0.02) and metabolizes at a moderate rate (39% ± 5% and 24% ± 3% parent remaining at 30 and 90 min) in plasma. UCB-J displays high uptake and fast kinetics in the monkey brain. When the animal is pretreated with UCB-J (150 μg/kg, iv), the whole brain SUV decreases to the same level as centrum semiovale, indicating the in vivo binding specificity of [ 18 F]7 to SV2A. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Especificaciones

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

UCB-J is a positron emission tomography (PET) radioligand for the synaptic vesicle protein 2A (SV2A).

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

Sonrisas canónicas

O=C1C[C@@](C2=CC(F)=C(C(F)=C2)F)([H])CN1CC3=CC=NC=C3C

Peso molecular

320.31

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (312.20 mM; Need ultrasonic)

Application Protocols

No tested application protocols are provided for this specific catalog item. The following are general, non-validated suggestions for small-molecule ligands.

Example general workflow (to be optimized by the user):

• Stock solution: Dissolve in anhydrous DMSO to a convenient concentration (e.g., 10 mM). Vortex and, if necessary, sonicate briefly. Protect from light.
• Working solutions: Prepare serial dilutions in assay buffer to target concentrations. Maintain final DMSO consistent across samples (e.g., 0.2% v/v) to prevent solvent-driven effects.
• Binding assay setup: Incubate ligand with protein or membrane prep under defined conditions (temperature, time) determined by preliminary optimization. Separate bound/free fractions by the chosen method (e.g., filtration, equilibrium dialysis) and quantify by LC/MS or a competitive binding readout.
• Data quality: Include vehicle controls, non-specific binding controls, and a positive control if available. Assess compound stability during the assay period.

Note: These steps are illustrative only and are not validated for this material. Refer to your institutional SOPs and primary literature for detailed conditions.

Biological Roles

Literature context (no medical or clinical claims):

• UCB-J is widely described as a high-affinity small-molecule ligand for synaptic vesicle protein 2A (SV2A), a ubiquitous vesicular membrane protein implicated in regulation of synaptic vesicle exocytosis. Such ligands are often used to probe synaptic vesicle trafficking and presynaptic density in research settings.
• Binding characteristics: Public studies report submicromolar to nanomolar affinity for SV2A depending on assay format and species, with high selectivity relative to many CNS off-target panels. Exact quantitative parameters should be obtained from primary literature and verified experimentally with the supplied lot.
• Research utility: As a chemical probe, UCB-J can serve as a positive control for SV2A-binding assays, ligand competition studies, and method development for analytical detection. Users should establish target engagement under their specific assay conditions (buffer composition, temperature, protein source).

Note: The present listing does not include target validation data, activity assays, or application protocols. Researchers should consult peer-reviewed sources for detailed binding constants, kinetics, and structure–activity relationships and confirm performance in-house.

Buffer Applications

This item is a small-molecule ligand; it is not a buffering agent. Nevertheless, buffer composition can strongly influence assay outcomes when working with hydrophobic ligands.

Practical guidance (general):

• Stock preparation: Prepare concentrated DMSO stock solutions (e.g., 10–50 mM as solubility permits), then dilute into assay buffer. Keep final DMSO at the lowest compatible level (commonly 0.1–1% v/v, assay-dependent).
• Typical assay buffers: Phosphate-buffered saline (PBS), HEPES, or Tris buffers at physiological ionic strength are common for protein-binding studies. Include nonionic surfactants (e.g., 0.01–0.05% Tween-20) only if validated to reduce nonspecific binding without perturbing the target.
• Nonspecific adsorption: Use low-bind plasticware or precondition glassware with buffer containing carrier protein (e.g., 0.1% BSA) when appropriate to minimize loss of hydrophobic ligands.
• pH and stability: Verify compound stability across the working pH range (commonly pH 6.8–7.6 for proteins) by HPLC/LC-MS, as hydrolysis or isomerization can be pH-dependent.

Note: No item-specific buffer compatibility data are provided; optimize empirically for your assay system.

Green Alternatives

For UCB-J as a research ligand, sustainability considerations mostly concern solvent choices for dissolution, handling, and analytics.

Greener solvent considerations (general):

• Prefer water where feasible; in practice, many hydrophobic ligands require an organic cosolvent. Use the minimum effective DMSO percentage during assay dilutions.
• When preparing intermediate solutions, consider ethanol or 2-propanol as more benign alternatives to DMF where solubility permits.
• For chromatography, explore water–acetonitrile gradients rather than water–methanol when appropriate for your detector and separation goals; both are widely recyclable.

Mini comparison (general guidance):

• DMSO: High solvency, good biocompatibility at low v/v; low volatility reduces emissions, but disposal must follow local regulations.
• Ethanol: Renewable feedstocks available; limited solubility for highly lipophilic compounds.
• 2-MeTHF/CPME: Greener ethers for synthesis workflows; may not be compatible with biological assays but can be considered for preparative steps.

Operational tips:

• Use amber microvials and minimize headspace to reduce oxidative degradation and waste.
• Plan small-scale solubility screens to identify the least hazardous solvent system that meets assay requirements.

Pharmaceutical Uses

No therapeutic or clinical claims are made for this product. The following describes research/formulation roles in a preclinical or analytical context only.

• Role: UCB-J is commonly referenced in the literature as a tool compound/standard in discovery settings centered on the SV2A target. In pharmaceutical research laboratories, such compounds may be used for assay development, comparative SAR studies, and analytical method qualification.
• Reference standard: Where permitted, neat material can serve as a non-compendial reference standard for LC/MS identity and purity checks in support of tracer synthesis QC or target-binding assays. Verification of identity, purity, and stability should be based on the lot-specific CoA.
• Formulation notes: For in vitro use, DMSO-based concentrates with subsequent dilution into buffered media are typical. For ex vivo tissue-binding studies, vehicle composition (e.g., PEG400/saline or DMSO/cremophor/saline) must be validated for the experimental model; this product does not include a validated vehicle.

Compliance: This product is for research use only and is not intended for human or veterinary use, diagnostics, or as an API.

Physical Properties

Item-specific physicochemical specifications are not provided in this listing.

• 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.
• 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/UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.

General handling notes (literature/practice):

• UCB-J is commonly prepared as concentrated DMSO stocks for screening and binding studies; typical working concentrations span micromolar to nanomolar regimes depending on assay format. Actual solubility and stability depend on batch/formulation and must be verified experimentally.
• Protect from light and moisture as provided; many heteroaromatic ligands can exhibit gradual photodegradation or hydrolysis under harsh conditions. Use amber vials and desiccation as recommended under Storage & Reconstitution.
• For any quantitative property requirements (e.g., solubility limits for HTS), confirm against the lot-specific CoA or conduct a small-scale solubility screen across DMSO, DMF, and aqueous cosolvent mixtures.

Quality and Grades

Item-specific grade and purity are not listed here.

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

Interpretation and expectations (general):

• For small-molecule screening compounds like UCB-J, vendors typically provide an assay of chemical purity (e.g., HPLC area %) and, where relevant, identity confirmation (NMR/HRMS). Lot-specific analytical details and acceptable limits should be verified on the CoA.
• If supplied as a salt or solvate, the effective potency on a molar basis should be adjusted accordingly; check counterions and hydration state on the CoA.
• Low water and peroxide specifications are not provided here; do not assume values. If such parameters are critical to your application (e.g., long-term DMSO storage, photostability testing), request the full Specification Sheet.
• For analytical use (e.g., reference standard in LC/MS), consider requesting residual solvent profile, chromatographic purity, and stability data to ensure method suitability (peak shape, absence of co-eluting impurities).

Reaction and Applications

This product is positioned as a research small molecule rather than a general-purpose synthetic reagent.

Applications (research usage):

• Literature identifies UCB-J as a high-affinity ligand for SV2A, frequently used as a tool compound/standard in target engagement studies and as a non-radioactive reference for tracer method development. This listing does not include application validations; users should establish conditions in their own assays.
• Analytical reference: Can serve as a reference standard in LC/MS methods supporting target-ligand studies or tracer QC, contingent on availability of definitive identity and purity data from the CoA.

Synthetic reaction usage: Not typically applicable. There is no item-specific information supporting use as a reagent, catalyst, or building block. If derivative synthesis is intended (e.g., labeled analogs), consult primary literature for the known synthetic route and protection strategies; this product is not supplied as a functionalized intermediate.

Practical tips:

• Prepare fresh DMSO stocks if extended exposure to light or air is unavoidable; aliquot to minimize freeze–thaw cycles.
• Validate stability under your assay conditions (temperature, pH, cosolvent composition) using LC/MS or HPLC before committing to large screens.

Reaction Conditions

This item is not offered as a reagent or catalyst, and no item-specific reaction condition data are provided.

General guidance (if using as an analytical standard or for solution preparation):

• Dissolution: Start with DMSO at room temperature; if insoluble, gentle warming (≤37 °C) and vortex/sonication may be applied. Avoid prolonged heating or strong light exposure.
• Dilution: Prepare serial dilutions into aqueous buffers while maintaining low final organic content to suit the assay format. Mix thoroughly and verify clarity; filter if particulate is present using low-binding membranes.
• Stability checks: Use quick HPLC or LC/MS snapshots before and after assay runs to monitor for degradation or adsorption losses.

Note: For synthetic chemists exploring literature routes to UCB-J, consult peer-reviewed procedures for exact solvents, temperatures, catalysts, and yields. Those literature conditions are not reproduced here to avoid mis-specification relative to this catalog item.

Safety and Handling

GHS information for this item is not supplied in the listing. Always consult the SDS for authoritative safety data and site-specific risk assessments.

• Signal word: Not specified for this item; refer to SDS.
• Hazard statements (H-codes): Not specified for this item; refer to SDS.
• GHS classification and pictograms: Not specified for this item; refer to SDS.

General laboratory safety guidance (good practice):

• PPE: Laboratory coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Handle in a fume hood to avoid inhalation of dust/aerosols and to control solvent vapors from stock solutions.
• Incompatibilities: Without structural specifics, avoid strong oxidizers, strong acids/bases, and prolonged exposure to light or moisture. Store in tightly closed containers with desiccant.
• First-aid (overview; defer to SDS): In case of skin/eye contact, rinse with water for at least 15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If ingested, rinse mouth; do not induce vomiting; seek medical attention.
• Spill response: Absorb small liquid spills with inert material (e.g., vermiculite), collect solids by gentle sweeping, and dispose of according to institutional hazardous waste procedures.
• Fire-fighting: Use CO2, dry chemical powder, or foam; combustion may generate irritating fumes. Firefighters should wear self-contained breathing apparatus.

Solvent Selection

Because item-specific solubility data are not provided, select solvents empirically with conservative, broadly compatible choices for small-molecule ligands.

• Primary solvent for stocks: Dimethyl sulfoxide (DMSO) is typically preferred for discovery compounds; it offers high solvating power and compatibility with biochemical and cell-based assay workflows.
• Secondary solvents: DMF, acetonitrile, and ethanol can be used for co-solvent systems or intermediate dilutions. Aqueous working solutions are often prepared by serial dilution from a DMSO stock, keeping final DMSO ≤0.1–1% v/v depending on assay tolerance (general practice).
• Water miscibility: Not specified for this item; confirm experimentally. Use gentle warming (≤37 °C) and sonication to aid dissolution where appropriate.
• Light and moisture: Protect during all solution manipulations to mitigate degradation risk as recommended in Storage & Reconstitution.

Comparison considerations (general):

• DMSO vs DMF: DMSO is generally more biocompatible for small DMSO spike-ins to assays; DMF may be preferable for certain synthetic or analytical preparations but is less favored in live-cell contexts.
• Acetonitrile: Strong eluent for LC and a useful diluent for MS analyses; may have limited solubilizing power for highly lipophilic solids compared with DMSO.

Storage and Reconstitution

Item-specific storage conditions (as provided):

• Store at 2–8 °C, protected from light, and desiccated.
• Shipped on wet ice.
• For research use only.

General reconstitution guidance (to be verified by the user):

• Solvent: Dissolve in anhydrous DMSO to prepare concentrated stock solutions (e.g., 5–50 mM, as solubility permits). If needed, prepare intermediate solutions in acetonitrile or ethanol before buffer dilution.
• Aliquoting: Divide stocks into single-use amber vials or microtubes to minimize freeze–thaw cycles and light exposure.
• Storage of solutions: Store DMSO stocks at −20 °C to −80 °C, protected from light and moisture. Avoid repeated warming; thaw on ice and use promptly. Aqueous working solutions are generally prepared fresh and used the same day.
• Stability monitoring: Periodically check integrity by HPLC/LC–MS, especially after extended storage or prior to critical experiments.

Important: Where exact solubility, stability, or pH sensitivity are critical, consult the lot-specific CoA/Specification Sheet or perform a small-scale pilot to empirically confirm conditions.

Structure and Identity

Summary: UCB-J is a small-molecule research compound widely cited in the literature as a high-affinity ligand for synaptic vesicle protein 2A (SV2A). Item-specific structural identifiers are not provided with this listing.

• Chemical name: Not specified for this item; refer to CoA/Spec Sheet.
• CAS: 2242957-52-2 (as provided)
• 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.

Structural features (literature, general):

• UCB-J is reported in the literature as a heteroaromatic, lipophilic SV2A ligand. Public sources describe a fused aromatic scaffold with polar functionality suitable for high-affinity CNS target binding. Exact atom connectivity should be confirmed from primary literature or the product CoA.

2D structure description (general):

• Without an item-specific structure string, a definitive 2D description cannot be provided here. Consult primary references or the product CoA/SDS for the precise structural diagram and stereochemical information (if any).

Synthetic Utility

UCB-J is supplied as a research compound, not as a general synthetic building block or reagent. No functional group handles or protecting group patterns are specified in this listing.

General considerations (literature context):

• Published routes to UCB-J and analogs describe multi-step heteroaromatic scaffold construction and late-stage functionalization to achieve high SV2A affinity and selectivity. If your intent is to derivatize or label the scaffold, consult the primary literature for strategically suitable positions and stability constraints.
• Due to the typical lipophilicity of SV2A ligands, purification frequently relies on reverse-phase chromatography with gradients optimized for aromatic systems.

Practical advice:

• If using this material as a comparator standard in synthetic campaigns, ensure the lot’s identity/purity is confirmed by orthogonal methods (HPLC, NMR, HRMS) before benchmarking biological activity.
• For isotopic or affinity tag installation, plan retrosynthesis to introduce labels at positions shown (in the literature) to preserve binding affinity; this product itself is not specified to contain reactive handles for conjugation.

Target Specificity

Item-specific target data are not provided in this listing.

• Verified target, affinity, species reactivity, clone/isotype (if antibody): Not applicable/not specified for this item; refer to CoA/Spec Sheet.

Literature context (non-validated for this lot):

• UCB-J is commonly described as a ligand for SV2A with high affinity and selectivity in multiple species. Exact KD/Ki values and selectivity profiles vary by assay and source and should be established in-house for this specific material.

Users should not infer performance characteristics from literature alone; verify target engagement through your own binding or functional assays.

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. 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 2242957-52-2, the molecular formula is C17H15F3N2O, and the molecular weight is 320.31 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.