GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
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.
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
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Recensioni
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Application Protocols
Tested applications, conditions, and dilutions are not provided in the Product Data for this item.
General/literature guidance for radioligand experiments (not item-specific):
In vitro membrane binding: Perform saturation and competition assays in appropriate buffer (e.g., HEPES or Tris, pH ~7.4) at controlled temperature. Include parallel determination of non-specific binding with excess cold ligand.
Autoradiography: Incubate tissue sections with radioligand, wash with ice-cold buffer, dry, and expose to phosphor imaging plates. Use cold competitors to assess specificity.
Small-animal PET (preclinical research only): Formulate in ethanol–saline, confirm radiochemical purity by analytical radio-HPLC, and adhere to institutional animal care and radiation safety protocols. Kinetic modeling requires arterial/venous sampling and metabolite analysis.
Because item-specific protocols are not supplied, optimize conditions empirically and verify compatibility with your system. Refer to the CoA/Spec Sheet for any batch-specific handling notes.
Biological Roles
Item-specific biological targets are not provided in the Product Data. No claims are made here for this specific product.
General/literature context (not item-specific):
TZTP-class ligands have been studied as probes of cholinergic neurotransmission. In the literature, [¹¹C]-labeled butylthio derivatives of TZTP have been explored as PET radioligands, including investigations related to muscarinic receptor subtypes. Researchers use such tracers to examine receptor distribution, occupancy, and ligand kinetics in preclinical models.
Radioligand behavior in tissue depends on affinity, selectivity, lipophilicity (logP), plasma protein binding, and metabolism. Rapid metabolism can generate radiometabolites that may or may not cross the blood–brain barrier, influencing PET signal interpretation.
For in vitro biology, radioligands enable high-sensitivity detection in saturation, competition, and kinetic binding assays. Parameters such as KD, Bmax, kon/koff, and non-specific binding fraction are routinely derived using established radioligand binding models (e.g., Cheng–Prusoff relationship for IC50→Ki conversion with appropriate assumptions).
Note: If your work requires definitive target identity and binding parameters for this item, consult the CoA/Spec Sheet and primary literature explicitly associated with “[¹¹C]butylthio-TZTP.”
Buffer Applications
This item is a small-molecule radioligand; it is not a classical buffering agent. No item-specific buffer recommendations are provided in the Product Data.
General practice for radioligand research (not item-specific):
In vitro binding assays: Use physiological buffers (e.g., HEPES, Tris, PBS) at appropriate pH (often 7.2–7.6) with salts, divalent cations, and protein (e.g., 0.1% BSA) as needed to minimize non-specific binding. Validate that the vehicle (e.g., ≤1% DMSO or ethanol) does not perturb binding.
Ex vivo autoradiography: Ice-cold buffer washes (e.g., Tris or PBS) reduce non-specific binding; include blockers for transporters/enzymes if relevant to your model.
Formulation for biological delivery: Ethanol–saline (e.g., 5–10% v/v ethanol) is commonly used for PET tracers to enhance solubility and reduce adsorption; exact compositions must be verified against CoA and institutional guidelines.
Because buffer selection depends on the specific assay and target, optimize empirically and confirm compatibility with your experimental system.
Green Alternatives
While radiosynthesis often prioritizes speed and reliability, greener choices can sometimes be implemented without compromising performance. Item-specific solvent/process details are not provided; the following are general, literature-informed considerations.
Prefer ethanol–water over acetonitrile or dichloromethane for final formulations when solubility allows; ethanol is a greener co-solvent with good biocompatibility.
Minimize DMF/DMSO volumes; consider ethanol or 2-propanol as reaction or workup co-solvents when compatible with labeling chemistry.
Use aqueous bicarbonate or carbonate bases instead of strongly basic anhydrous reagents when the precursor tolerates water.
Performance: Similar ether solvent properties; water tolerance may differ.
Superheated water or ethanol–water for cartridge conditioning and transfers can reduce chlorinated solvent use.
Trade-offs:
Some [¹¹C]-alkylation steps require anhydrous, aprotic media (e.g., acetonitrile) for high yields within the short synthesis window. Greener substitutions must be validated to maintain radiochemical yield and purity within the ¹¹C half-life constraints.
Pharmaceutical Uses
No pharmaceutical or clinical use is claimed or implied. For research use only (from Product Data).
General formulation/manufacturing context for PET research tracers (not item-specific):
Excipients: Ethanol–saline vehicles are frequently used to solubilize lipophilic tracers; alternative excipients (e.g., polysorbates) may be explored in preclinical formulation development to reduce adsorption and improve stability.
Quality attributes: Radiochemical identity/purity, residual solvent content, pH, osmolality, sterility, and endotoxin are standard QC items for parenteral research formulations; specific thresholds are institution- and protocol-dependent and not specified here.
Handling and dispensing: Use dose calibrators for activity measurement, sterile single-use syringes/vials, and shielded transport containers. Due to ¹¹C’s short half-life, just-in-time synthesis and rapid QC are essential.
Regulatory note:
Not intended for human or veterinary use. If adapting methods for regulated studies, follow applicable pharmacopeial or institutional guidance for PET radiopharmaceutical research materials; confirm all specifications via CoA/Spec Sheet.
Physical Properties
Item-specific properties (from Product Data):
Appearance: 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.
Not specified for this item; refer to CoA/Spec Sheet for any of the following, if applicable:
Melting/boiling point
Density, refractive index
Solubility in common solvents
pKa/logP
UV/Vis characteristics
General/literature context for ¹¹C radioligands (not item-specific):
Physical state and solubility of PET radioligands are governed by the non-radioactive parent structure; many small-molecule PET ligands are formulated as ethanolic–saline solutions for rapid intravenous administration in preclinical settings or as DMSO/ethanol concentrates for in vitro binding studies.
Carbon-11 nuclear property: half-life t½ ≈ 20.3 min; decay mode β+ (positron emission) to ¹¹B, yielding 511 keV annihilation photons (PET-detectable). This nuclear property dictates fast synthesis, QC, and use.
Radiochemical concentration, molar activity (aka specific activity), and radiochemical purity are key quality attributes for ¹¹C tracers; exact values are batch- and process-dependent and are not specified here.
Quality and Grades
Grade/Purity (from Product Data): Moligand™.
What this typically implies (general guidance; not item-specific specifications):
Moligand™ indicates a research-use ligand product line suitable for discovery workflows (screening, binding, imaging method development). For radioligands, relevant QC attributes often include radiochemical identity, radiochemical purity, and molar activity at end of synthesis (EOS) or time of calibration. Exact acceptance criteria, stabilizers, and impurity limits are batch/process specific and are not specified for this item.
UV cutoff, water/peroxide/metal limits: Not specified for this item; refer to CoA/Spec Sheet.
How to interpret grade in practice:
For PET radioligands, quality depends on synthesis route, time post-EOS, and handling. Verify activity calibration time, solvent composition, and any excipients in the formulation to ensure compatibility with your application (in vitro vs. in vivo research). Confirm with the provided CoA/Spec Sheet.
If your application is highly sensitive (e.g., quantitative receptor occupancy, kinetic modeling), request current batch documentation on radiochemical purity, identity (co-injection with reference standard), and residuals (e.g., solvents, precursor, copper where applicable) prior to use.
Documentation:
For research use only (from Product Data). Always consult the CoA/Spec Sheet and SDS for batch-specific information.
Reaction and Applications
Manufacturer applications: Not specified beyond the product name; this item is designated for research use only.
General/literature applications for [¹¹C]-labeled small-molecule ligands (not item-specific):
PET radiotracer research: ¹¹C-labeled ligands are used to study receptor binding, target density, and pharmacokinetics in cells, tissues, and small-animal imaging models. Fast synthesis and QC are essential due to ¹¹C’s ~20.3 min half-life.
In vitro binding/autoradiography: Radioligand binding assays to characterize affinity and selectivity profiles across receptor subtypes, with autoradiography to map regional distribution ex vivo.
Method development: Kinetic modeling, metabolite correction methods, and HPLC radioanalysis method validation using known standards and co-injection techniques.
Radiosynthetic context (literature, not item-specific):
¹¹C introduction is commonly achieved via [¹¹C]CO2 → [¹¹C]CH4 → [¹¹C]CH3I/[¹¹C]CH3OTf for O/N/S-methylation, or via [¹¹C]-alkyl iodides/triflates for longer chains ([¹¹C]ethyl, [¹¹C]propyl, [¹¹C]butyl) under basic conditions. Thioether formation can proceed via alkylation of a thiol precursor.
Note: Specific targets, binding properties, and application protocols for this exact item are not specified in the Product Data and should be confirmed from the CoA/Spec Sheet or primary literature.
Reaction Conditions
Item-specific synthesis conditions are not provided in the Product Data. The following guidance is general for ¹¹C radiochemistry and thioether formation and should not be interpreted as specifications for this product.
[¹¹C]-Alkylation: Generate [¹¹C]alkyl electrophile (e.g., [¹¹C]butyl iodide or triflate) from cyclotron-produced [¹¹C]CO2 via [¹¹C]CH4 → [¹¹C]CH3I and chain-elongation or via alternative routes. Trap precursor thiolate (formed with a mild base such as K2CO3 or Cs2CO3, sometimes with phase-transfer catalyst) in anhydrous acetonitrile or DMF. Reactions often proceed at room temperature to 80 °C for 1–10 min.
Purification: Quench and inject onto semi-preparative reversed-phase radio-HPLC. Collect the product peak, dilute, pass through a C18 cartridge if needed, and formulate in ethanol–saline. Sterile filtration (0.22 µm) completes the process for biological research use.
Timing: Total synthesis + QC must fit within the ¹¹C half-life. Automation on a synthesis module improves reproducibility and radiation safety.
Yields and activities:
Radiochemical yields and molar activities vary widely with precursor quality, trapping efficiency, and module design; consult your internal benchmarks. No item-specific values are provided.
Always verify conditions for your specific precursor and follow institutional SOPs and the CoA/Spec Sheet for this item.
Safety and Handling
Item-specific hazard data (from Product Data):
GHS Classification: Not specified for this item; refer to SDS.
Signal Word: Not specified for this item; refer to SDS.
H-Statements/Pictograms: Not specified for this item; refer to SDS.
General safety guidance (not item-specific; always defer to SDS and institutional radiation safety):
Radioactivity: ¹¹C is a positron emitter (β+, t½ ≈ 20.3 min). Use appropriate time–distance–shielding principles. Utilize designated PET hot cells, L-blocks, tungsten/lead vials, remote handling tools, and survey meters. Wear lab coat, double gloves, eye protection; dosimetry as required by your RSO.
Contamination control: Work over absorbent pads; monitor work surfaces; segregate radioactive and non-radioactive waste. Use appropriate decay-in-storage protocols for short-lived isotopes. Clearly label all containers with activity, nuclide, and time/date.
Chemical hazards: In addition to radiological risk, the non-radioactive ligand and solvents (e.g., acetonitrile, ethanol, DMSO, bases) may pose flammability/toxicity risks. Consult component SDS and ensure adequate ventilation.
Incompatibilities: Avoid contact with strong oxidizers/acids/bases unless required by the radiosynthetic protocol and performed in contained systems. Prevent aerosolization and skin contact.
First aid (overview): Inhalation—move to fresh air, seek medical evaluation. Skin/eye contact—immediately flush with water; remove contaminated clothing. Ingestion—seek medical attention. For contamination or exposure, follow institutional radiological incident procedures.
Training: Use only by personnel trained in handling PET radionuclides and hazardous chemicals.
Solvent Selection
Item-specific solvent details are not provided in the Product Data. Refer to the CoA/Spec Sheet for composition of the supplied formulation (e.g., ethanol/saline percentage, residual synthesis solvents).
General/literature guidance for ¹¹C small-molecule radioligands (not item-specific):
Common stock solvents: DMSO or ethanol for preparing concentrated non-radioactive standards; ethanol–water or ethanol–saline for radiotracer formulations to improve solubility and reduce adsorption to plastics.
Polarity/miscibility: Many lipophilic PET ligands are moderately to highly soluble in ethanol and acetonitrile; aqueous solubility is enhanced by co-solvents (10–20% ethanol or similar). Always verify compatibility with biological assays and materials (tubing, filters).
When to choose alternatives:
Ethanol–saline: typical for biological delivery and in vitro tissue assays due to biocompatibility.
Acetonitrile/DMF/DMSO: commonly used in radiosynthesis and HPLC purification; for final use these are minimized per QC requirements.
Practical tips:
Glass vs. plastic: Some thioether-containing ligands can adsorb to plastics; precondition surfaces with formulation solvent when necessary.
Filtration: Use low-binding 0.22 µm filters; pre-rinse with vehicle.
Note: Because specific solubility and formulation details are not provided for this item, confirm solvent selection empirically and/or with the batch CoA.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
General/literature guidance for ¹¹C radioligands (not item-specific):
Due to the short half-life (t½ ≈ 20.3 min), [¹¹C] materials are typically synthesized just-in-time and used immediately. Activity decays rapidly; plan experiments to begin as close to end-of-synthesis (EOS) as feasible.
If supplied in solution, maintain the container shielded and at the indicated storage temperature. Avoid unnecessary transfers to limit adsorption and activity loss. Use low-binding materials and pre-rinse with vehicle.
Do not freeze unless explicitly stated on the CoA; freeze–thaw cycling can lead to precipitation or adsorption losses.
Reconstitution: If provided lyophilized or as a concentrate (not specified here), reconstitute with the recommended vehicle (e.g., ethanol–saline) under aseptic, shielded conditions. Gently mix; avoid vigorous agitation that may introduce bubbles and complicate dose calibration.
Documentation: Record calibration time, measured activity, and volume before each use. Dispose of waste according to institutional radiation safety protocols.
For any batch-specific instructions (e.g., vehicle composition, stabilizers, expiry), consult the CoA/Spec Sheet.
Structure and Identity
Item-specific identifiers (from Product Data):
SKU: C613767
Product Name: [¹¹C]butylthio-TZTP
CAS: C613767 (catalog-style identifier provided; not a standard CAS number)
CID: 73755038
InChIKey: 334936 (as provided)
Grade: Moligand™
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/InChI: Not specified for this item; refer to CoA/Spec Sheet.
General/literature context (not item-specific):
“[¹¹C]” denotes carbon-11 radiolabeling (t½ ≈ 20.3 min, positron emitter). In carbon-11 radioligands, the ¹¹C atom is commonly incorporated via an alkyl fragment (e.g., [¹¹C]methyl, [¹¹C]ethyl, or longer [¹¹C]-alkyl chains), enabling PET detection.
“butylthio-TZTP” refers, in the literature, to a thioether-containing TZTP scaffold bearing a butylthio substituent; the exact substitution pattern and stereochemistry should be confirmed from the certificate of analysis for this specific lot/formulation.
2D structural features described generally for this class: heteroaromatic/aza-containing bicyclic or fused systems characteristic of muscarinic-ligand scaffolds, appended by a thioether (–S–alkyl) side chain. The [¹¹C] is typically located within the alkyl fragment.
Notes:
Because structure strings and elemental composition are not provided in the Product Data, please refer to the CoA/Spec Sheet for definitive structural identifiers, isotopic position of ¹¹C, and any stereochemical descriptors for this item.
Synthetic Utility
This product is a finalized ¹¹C-labeled radioligand intended for research use, not a general-purpose synthetic intermediate. Item-specific precursor details are not provided in the Product Data.
Radiosynthetic logic: Thioether-containing ligands can be accessed by alkylation of a thiol precursor with a [¹¹C]-alkyl electrophile (e.g., [¹¹C]butyl iodide/triflate) under basic conditions, furnishing the ¹¹C-thioether in a single step after [¹¹C]-alkyl reagent generation.
Precursor design: Protecting groups and leaving groups are selected for rapid, high-yielding reactions within the ¹¹C time window. Solid-phase extraction and semi-preparative radio-HPLC enable swift purification.
Non-radioactive reference: Parallel synthesis of a cold standard (non-radioactive TZTP analog) supports identity confirmation by co-injection and enables calibration of analytical methods.
Utility in workflows:
Method development: Optimize alkylation/base/solvent to balance speed and purity. Validate analytical methods (radio/UV HPLC) and stability in the intended vehicle.
Not typically used for multistep organic synthesis due to radiation and half-life constraints; instead, unlabeled analogs and precursors serve synthetic roles, while the ¹¹C product serves analytical/biological probing functions.
Target Specificity
Item-specific target information is not provided in the Product Data. No claims are made regarding receptor/protein selectivity, subtype preference, or binding constants for this product.
Please consult the CoA/Spec Sheet or primary literature specific to “[¹¹C]butylthio-TZTP” if your work requires confirmed molecular targets, species reactivity, or binding parameters.
Need help choosing the grade?
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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