Rimtuzalcap - ≥99% , CAS No.2167246-24-2

CAS: 2167246-24-2 Cat. No.: R650729 Formula: C₁₈H₂₄F₂N₆O Peso molecolare: 378.42 PubChem CID: 132207249

GRADE & PURITY ≥99%

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Rimtuzalcap (CAD-1883) is a first-in-class selective positive allosteric modulator of small-conductance calcium-activated potassium channels (SK channels). Rimtuzalcap can be used for the research of movement disorders including essential tremor (ET) and spinocerebellar ataxia (SCA).

In Vitro

Rimtuzalcap (Compound 1) is a small molecule modulator of potassium ion channels showing great therapeutic potential for treating a variety of diseases characterized by dysfunction of potassium ion channels and dysfunction from other causes which influence these potassium channels. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Rimtuzalcap (CAD-1883) reduces the firing rate of Purkinje cells by approximately 40%, consistent with the anticipated therapeutic mechanism of positive allosteric modulation of SK channels. Sequential bath application of 1 or 3 µM CAD-1883 results in a partial reversal of the increased coefficient of variation of the interspike interval which is seen in cerebellar slices from 11-month-old spinocerebellar ataxia-2 58Q mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

Rimtuzalcap (CAD-1883) is a first-in-class selective positive allosteric modulator of small-conductance calcium-activated potassium channels (SK channels) . Rimtuzalcap can be used for the research of movement disorders including essential tremor (ET) and

Condizioni di conservazione di stoccaggio

Protected from light,Store at -80°C

Spedito in

Dry ice packs + Cold packs

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

Purezza

≥99%

Nomi e identificatori

Sorrisi canonici

CC1=NN(C=C1)C2=NC(=CC(=N2)N3CCOCC3)NC4CCC(CC4)(F)F

Isomeri SMILES

CC1=NN(C=C1)C2=NC(=CC(=N2)N3CCOCC3)NC4CCC(CC4)(F)F

PubChem CID

132207249

Peso molecolare

378.42

Proprietà chimiche e fisiche

• Solubilità: DMSO : 250 mg/mL (660.64 mM; Need ultrasonic)
• Peso molecolare: 378.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 378.198 Da
• Monoisotopic Mass: 378.198 Da
• Topological Polar Surface Area: 68.100 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 482.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Application Protocols

No item-specific, validated protocols are provided in the Product Data. The following is general guidance for deploying small-molecule library compounds in biochemical or cell-based assays; adapt to your system and consult your SDS and CoA.

General handling and assay preparation (not item-specific):

• Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM under low light. Vortex and, if needed, brief sonication. Record exact concentration by gravimetric preparation or quantitative NMR/UV if feasible.
• Aliquoting: Dispense single-use aliquots into amber vials or 96/384-well source plates; store at −80°C protected from light (per Product Data). Avoid repeated freeze–thaw cycles.
• Working solutions: Dilute into assay buffer/media to desired final concentrations; maintain DMSO typically ≤0.1–1.0% (v/v). Include matched vehicle controls and, if available, positive control compounds.
• Plate handling: For HTS, equilibrate plates to room temperature briefly before pinning/transfer to reduce condensation. Use low-binding tips/plates to minimize adsorption.
• Stability checks: Run pre/post-assay LC–MS or UV to confirm compound integrity in your matrix, especially for long incubations or light exposure.
• Data quality: Include duplicates/triplicates, concentration-response curves, and counter-screens for assay interference (e.g., redox cycling, fluorescence quenching) as appropriate.

These steps are provided as general best practices; adapt based on your assay readout and compound behavior.

Biological Roles

No biological target, pathway, or mode-of-action information is provided in the Product Data for Rimtuzalcap. Accordingly, no claims are made about biological function or selectivity for this item.

General considerations for small-molecule library members (not item-specific):

• Potential roles in research: Compounds of this class are typically evaluated as chemical probes or lead candidates in biochemical, cellular, or phenotypic assays to interrogate pathways of interest.
• Assay deployment: Start with broad profiling or target-focused panels once the structure and purity are verified. Include vehicle controls and counter-screens to assess off-target effects and assay interference.
• ADME flags (conceptual): Solubility, permeability, and metabolic stability strongly influence observed activity; characterize these experimentally for any hits. Without structural data, in silico predictions cannot be performed.

Important: This product is designated for research use only. It is not intended for human or veterinary use, clinical diagnostics, or as a therapeutic. For any claims of biological activity, rely on peer-reviewed literature or your internal data tied to a verified structure and batch-specific CoA.

Buffer Applications

As a small-molecule library compound, Rimtuzalcap is not a buffering agent. However, proper buffer handling is essential for preparing assay-ready solutions.

General guidance for preparing working solutions (not item-specific):

• Stock solutions: Prepare in anhydrous DMSO (e.g., 10–50 mM) under low light, per Product Data storage guidance.
• Dilution into buffers: Common assay buffers include PBS, HEPES, or Tris-based systems. Maintain final DMSO ≤0.1–1.0% (v/v) depending on assay tolerance. Include matched vehicle controls.
• pH considerations: If the compound is ionizable (unknown here), solubility and stability may be pH-dependent. Adjust buffer pH only after confirming functional groups from the CoA.
• Additives: For hydrophobic or aggregation-prone compounds, 0.01–0.05% non-ionic surfactant (e.g., Tween 80 or Pluronic F-68) can reduce nonspecific adsorption and aggregation in biochemical assays.
• Filtration: For sterile work, filter working solutions through 0.22 µm membranes compatible with organic content.

Not specified for this item: pKa, solubility limits, and buffer compatibility. Verify experimentally at small scale before committing to large screening runs.

Green Alternatives

In the absence of structural details, green chemistry considerations focus on handling solvents and workflows rather than the compound itself.

Greener solvent choices for dissolution and processing (general guidance):

• Prefer water or aqueous buffer when feasible (after verifying ionization/solubility). If co-solvent is required, use minimal DMSO content in assays (≤0.1–0.5% where biology allows).
• When organic solvents are needed, consider lower-toxicity options and process safety: ethanol, isopropanol, ethyl acetate, and 2-MeTHF have more favorable profiles than chlorinated solvents.
• Avoid DMF and NMP where possible due to reproductive toxicity concerns; if used for difficult solubilization, limit exposure and ensure appropriate engineering controls.

Small comparison (general, not item-specific):

• DMSO: High solvency; relatively benign but can facilitate dermal transport—use gloves and good lab practice.
• 2-MeTHF vs THF: 2-MeTHF offers a greener, less peroxide-prone alternative for extractions/processing; check solubility compatibility.
• Ethyl acetate vs dichloromethane: EtOAc is less hazardous and biodegradable; partitioning behavior may differ.

Operational improvements:

• Minimize solvent volume and favor miniaturized assay formats.
• Employ solvent recycling when compatible with quality requirements.
• Use amber vials and cold-chain storage to reduce degradation and waste.

These recommendations are general and should be adapted once the compound’s structure and assay context are confirmed.

Pharmaceutical Uses

No pharmaceutical or excipient use is specified or implied for this product. This item is supplied strictly for research use only and is not intended for human or veterinary use, clinical applications, or as an active pharmaceutical ingredient (API).

General context for discovery compounds (not item-specific):

• Formulation screening in R&D: If pursuing preclinical evaluations, researchers often explore solvent systems (e.g., PEG400, Captisol, polysorbates) for in vivo studies. Such activities require comprehensive characterization and are outside the scope of this catalog listing.
• Quality standards: Pharmacopeial compendia (USP/EP/JP) do not apply unless explicitly stated. For this item, no pharmacopeial status is provided.

If you need a specific grade or documentation for regulated applications, contact Technical Support. At present, the Product Data does not specify any pharmaceutical excipient role, GMP status, or clinical formulation guidance.

Physical Properties

Only general guidance can be provided because key physicochemical data are not included in the Product Data for this item.

Item-specific values 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 applicable/unknown for solids; if liquid, not specified.
• Solubility: Not specified; common practice for discovery compounds is to prepare DMSO stocks (e.g., 10–50 mM) and dilute into assay buffer with ≤1% final DMSO.
• LogP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.

General notes for small-molecule library members (literature/practice-based, not item-specific):

• Many screening compounds are supplied as solids that dissolve in high-boiling polar aprotic solvents (e.g., DMSO, DMF) and may exhibit limited aqueous solubility without co-solvent, surfactant, or pH adjustment.
• If the structure contains ionizable groups, solubility can be pH-dependent; prepare acidic/basic aqueous cosolvent systems as appropriate only after confirming structural features from the CoA/Spec Sheet.
• For precise batch-specific properties (e.g., water content, residual solvents), consult the CoA.

Quality and Grades

Item-specific grade/purity is not specified in the Product Data. For this catalog entry, please refer to the CoA/Spec Sheet accompanying your lot for assay, purity method (e.g., HPLC/UPLC), and impurity profile.

What to expect in the CoA (typical for discovery compounds; not item-specific):

• Purity determination: Often reported by HPLC/UPLC with UV or MS detection; thresholds of ≥95% or ≥98% are common for screening collections, though your lot-specific value governs use.
• Identity confirmation: HRMS/ESI-MS and/or 1H NMR; some entries may include 13C NMR.
• Residual solvents, water (KF), and inorganic impurities: May be provided when applicable; absence here does not imply compliance—check the CoA.

Interpreting common grades (general guidance):

• Screening/Library grade: Suitable for hit-finding, biochemical/cellular assays; may not meet stringent pharmacopeial specs.
• Research grade: Intended for R&D only; not for human/animal use or diagnostic purposes.

Stabilizers/additives:

• None are listed in the Product Data. If present, stabilizers will be disclosed on the CoA/Spec Sheet. The absence of a listing here should not be taken as confirmation of absence—verify with your lot documents.

If you require a specific analytical threshold (e.g., metal content, peroxide limits, UV cutoffs), contact Technical Support with your SKU and lot number for the most recent CoA.

Reaction and Applications

This product is listed as a small-molecule/compound library member intended for research use. Without structural information, specific synthetic transformations cannot be prescribed. The following use-cases are general for discovery compounds and are not item-specific claims:

• Screening and SAR: Suitable for high-throughput screening (HTS), fragment/lead validation, and early SAR studies when structure and purity are confirmed via CoA.
• Probe development: If the compound exhibits interesting bioactivity in your assays, it can serve as a starting point for analog design. Access to the definitive structure is essential before derivatization.
• Analytical reference: May be used as a reference standard for method development once identity/purity are verified.

Practical tips (general):

• Confirm identity: Verify by LC–MS and, where possible, 1H NMR before biological deployment.
• Stock preparation: Prepare DMSO stocks under low light; filter sterilize working solutions if required by your assay (0.22 µm PVDF/nylon compatible with organic content).
• Adsorption and stability: Use amber glass vials, minimize freeze–thaw cycles, and aliquot stocks.

If you intend to use the material as a synthetic intermediate, obtain the structure (SMILES/InChI) from the CoA or authoritative databases and plan transformations accordingly (e.g., protection/deprotection, cross-coupling), mindful that no functional group information is provided in the Product Data.

Reaction Conditions

Specific reaction conditions cannot be provided because the Product Data does not disclose the functional groups or scaffold of Rimtuzalcap. The guidance below is general and not item-specific, applicable only after the structure is confirmed.

General conditions for common transformations (literature; not specific to this item):

• Amide coupling: Carboxylic acid + amine using HATU or EDCI/HOBt in DMF/MeCN, 0–25°C, 1–16 h.
• Suzuki–Miyaura coupling: Aryl/heteroaryl boronate + aryl halide, Pd catalyst (e.g., Pd(PPh3)4), base (K2CO3), dioxane/H2O or 2-MeTHF/H2O, 60–100°C, 2–16 h.
• Buchwald–Hartwig amination: Aryl halide + amine, Pd catalyst/ligand, base (NaOtBu), toluene/1,4-dioxane, 80–110°C.
• Reductive amination: Carbonyl + amine with NaBH3CN or HB(OAc)3 in MeOH/MeCN, 0–25°C.

These examples illustrate standard conditions only. Do not apply them to this product without verifying that the corresponding functional groups are present. For batch-specific guidance, consult the CoA and structure, then design conditions accordingly.

Safety and Handling

GHS hazard information is not provided in the Product Data for this item; always consult the Safety Data Sheet (SDS) supplied with the batch for authoritative classification and first-aid measures.

Item-specific safety fields:

• 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 (good practice; not item-specific):

• Use in a chemical fume hood, avoid inhalation and contact with skin/eyes. Wear appropriate PPE: lab coat, safety glasses, and suitable gloves (e.g., nitrile). For solids, avoid dust formation; for solutions, prevent aerosolization.
• Storage incompatibilities: Until the structure is confirmed, segregate away from strong oxidizers and acids/bases. Keep containers tightly closed. Product Data specifies protection from light and storage at −80°C.
• First aid (overview; defer to SDS): Eye/skin contact—rinse with water for ≥15 minutes and remove contaminated clothing. Inhalation—move to fresh air; seek medical attention if symptoms persist. Ingestion—rinse mouth; seek medical advice.
• Spill/accidental release: Avoid dust; collect with inert absorbent for solutions. Dispose of in accordance with institutional and local regulations.
• Fire-fighting: Use CO2, dry chemical, or appropriate foam; combustion may produce irritating/toxic fumes—firefighters should wear self-contained breathing apparatus.

Always defer to the SDS and institutional EHS guidance for definitive handling instructions.

Solvent Selection

No structural information is provided, so solvent choice should be guided by empirical solubility screening and your assay constraints.

Practical approach for small-molecule stocks (general guidance):

• Primary solvent for stocks: DMSO is the standard for discovery compounds. Begin with 10–50 mM stock solutions.
• Solubility screening sequence: DMSO > DMF > MeOH/EtOH (if compatible) > acetonitrile. Avoid water-only dissolution until solubility is confirmed or pH-adjusted.
• Aqueous working solutions: Dilute DMSO stocks into buffer to a final DMSO ≤0.1–1.0% (v/v), as your biology permits. Include a matched vehicle control.
• For poorly soluble compounds: Consider co-solvent blends (e.g., DMSO:PEG400:buffer), surfactants (0.01–0.05% Tween 80 or Pluronic F-68), or pH modulation if the compound has ionizable groups (confirm via structure).

Compatibility notes:

• Light sensitivity: Product Data indicates protection from light—use amber vials and minimize exposure during handling.
• Adsorption: Hydrophobic compounds may adsorb to plastics; consider glass vials or low-binding plastics.

Comparison (general, not item-specific):

• DMSO: Broad solubilization power; compatible with many biochemical assays; may affect cell membranes at higher %.
• DMF/MeCN: Useful for method development/analytical prep; check biological compatibility.
• Alcohols: Convenient but can interfere with some assays and extractions.

Always confirm solvent compatibility with your assay and consult the CoA/Spec Sheet for any lot-specific guidance.

Storage and Reconstitution

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

• Storage conditions: Protect from light; store at −80°C.
• Shipping: Shipped on dry ice packs + cold packs to maintain cold chain.

Reconstitution guidance (general; not item-specific):

• Solvent selection: In the absence of solubility data, DMSO is recommended for initial stock preparation. Start at 10–50 mM and adjust as solubility permits.
• Technique: Allow container to equilibrate briefly to minimize condensation. Open under dry, inert atmosphere if moisture sensitivity is suspected. Use amber glassware to limit light exposure.
• Aliquoting: Prepare single-use aliquots to avoid freeze–thaw cycles. Label with concentration, solvent, lot, and preparation date.
• Working solution stability: Prepare fresh dilutions immediately before use. If storage is required, validate stability at the intended temperature and light conditions.

Additional notes:

• Appearance, water content, and exact solubility are not specified for this item; consult the CoA/Spec Sheet for lot-specific details.
• Disposal: Follow institutional guidelines; DMSO solutions should be collected as organic waste.

Always refer to the CoA and SDS for definitive, lot-specific instructions on storage, reconstitution, and stability.

Structure and Identity

Brief overview: Rimtuzalcap is listed in our small-molecule/compound library collection for research use. The Product Data provided for this listing does not include structural descriptors.

Item-specific identifiers (from Product Data):

• CAS: 2167246-24-2
• PubChem CID: 132207249
• SKU: R650729
• Name: Rimtuzalcap
• 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 (general note):

• No structural features (functional groups, ring systems, stereochemistry) are provided in the Product Data. Without a structure (SMILES/InChI) we cannot enumerate functional groups or visualize the 2D scaffold for this catalog entry. Please consult the Certificate of Analysis (CoA), Spec Sheet, or authoritative chemical databases for definitive structural information.

2D structure description (availability):

• Not available in the Product Data. If you require structural verification (e.g., depiction, stereochemical assignment), request the latest CoA/Spec Sheet or reference the cited CAS/CID in an external database and cross-validate against the batch-specific documentation supplied with your order.

Synthetic Utility

Rimtuzalcap, as listed, is intended as a small-molecule library compound for screening and research. Without structural information, its use as a synthetic intermediate cannot be assessed.

General considerations (not item-specific):

• If the compound’s structure contains handle(s) amenable to diversification (e.g., aryl halides, boronates, amines, acids), typical transformations include cross-couplings (Suzuki–Miyaura, Buchwald–Hartwig), amide couplings, and heterocycle elaborations. Such planning requires confirmed functional groups from the CoA/structure file.
• Protecting groups: If present, ensure compatibility with planned steps; deprotection conditions must be tailored to the specific functionalities.
• Analytical tracking: LC–MS for rapid reaction monitoring; NMR for structural confirmation of derivatives.

If you aim to derivatize this scaffold, please obtain the structural file (SMILES/SDF) from the CoA or authoritative databases for in silico planning, reactivity assessment, and to avoid conflicting isomer/tautomer issues. No item-specific reactivity or transformation data are available in the Product Data.

Target Specificity

Not applicable. This listing is a small-molecule research compound with no target, selectivity, or binding profile provided in the Product Data. No claims are made regarding biological targets, potency, or selectivity for Rimtuzalcap.

If you have internal or literature data tied to a verified structure and batch, document assay conditions (target, species, format, readout, controls) and report specificity metrics (e.g., Ki, IC50, EC50) with appropriate counter-screens.

Domande frequenti

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 ?80 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 2167246-24-2, the molecular formula is C18H24F2N6O, and the molecular weight is 378.42 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.