VU590 - Moligand™, 10 mM in DMSO , CAS No.313505-85-0

CAS: 313505-85-0 Cat. No.: V1494155 Fórmula: C₂₄H₃₂N₄O₇・2HCl・xH₂O Número CE: 684-087-6 PubChem CID: 71433535

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

VU590 is a potent and moderately selective ROMK (Kir1.1) inhibitor, with an IC 50 of 290 nM. VU590 also inhibits Kir7.1 , with an IC 50 of 8 μM. VU590 is not a good probe of ROMK function in the kidney .

Specifications

Especificações e pureza

Moligand™, 10 mM in DMSO

Condições de armazenamento de armazenamento

Protected from light,Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Nomes e identificadores

• SMILES isoméricas: C1COCCN(CCOCCOCCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-].Cl.Cl
• PubChem CID: 71433535

Application Protocols

Tested applications, recommended concentrations/dilutions, and positive control conditions are not provided for this item.

General protocol framework for small‑molecule test articles (not item-specific):

• Biochemical assays: Prepare serial dilutions (e.g., 10‑point 3‑fold) in assay buffer with constant vehicle. Incubate with target system per assay SOP, measure readout, and fit concentration–response curves (four‑parameter logistic).
• Cell‑based assays: Start at 10–30 µM top concentration with 0.1–0.5% DMSO; include cytotoxicity counterscreens. Pre‑incubate 15–60 min as required.
• Analytical: For LC–MS quantitation, develop a matrix‑matched calibration curve using confirmed‑purity material; monitor at least two MRM transitions or accurate‑mass fragments if available.

Please refer to your internal SOPs and obtain the lot‑specific CoA for any validated, item‑specific conditions.

Biological Roles

Item-specific biological targets, mechanisms, or pathways are not provided in the current product entry and should not be inferred. The compound is supplied strictly for research use as part of the Moligand™ small‑molecule collection.

General considerations for small‑molecule research compounds (not item-specific):

• Such compounds are often evaluated as modulators in biochemical or cellular systems to interrogate signaling, transport, or enzymatic pathways. Any putative biological role should be validated experimentally under your assay conditions.
• Off‑target assessment: Include counter‑assays, orthogonal readouts, and concentration–response profiling to distinguish on‑target activity from assay interference or nonspecific effects.
• ADME liabilities: Assess solubility limits, chemical stability (hydrolysis/oxidation/photolysis), and protein binding, all of which impact apparent potency in cellular systems.
• Data integrity: Report vehicle composition, plate format, incubation times, and detection modality to allow reproducibility.

No clinical/therapeutic claims:

• This product is for research use only and is not intended for diagnostic, therapeutic, or in vivo applications. Any biological role assigned in the literature should be confirmed against the lot‑specific material and your protocol.

Buffer Applications

Not typically applicable. This product is a discrete small molecule rather than a buffering agent.

Practical guidance for use in buffered systems (general, not item-specific):

• Prepare concentrated stocks in DMSO, then dilute into the desired buffer (e.g., PBS, HEPES) to the working concentration while maintaining a constant vehicle percentage across controls and treatments.
• To mitigate precipitation in aqueous buffers, add the DMSO stock last under vigorous mixing, and consider including 0.01–0.1% nonionic surfactant if compatible with the assay.
• Verify that buffer components (salts, proteins, reducing agents) do not react with or adsorb the compound; run stability checks over the assay timeframe.

Green Alternatives

This product is a discrete screening compound rather than a process solvent or reagent; “green alternatives” therefore focus on greener handling and vehicles during assay preparation rather than substitution of the compound itself.

Greener solvent practices for stock/assay preparation (general guidance):

• Prefer aqueous buffers with minimal organic co‑solvent. Keep DMSO at the lowest level compatible with solubility and assay performance (often 0.1–0.5% v/v).
• Consider ethanol or PEG‑400 as partial co‑solvents where compatible with biology and analytics.
• Use miniaturized assay formats (384/1536‑well) to reduce solvent consumption; employ sealed plates to limit VOC emissions.

Comparison of common vehicles (general guidance):

• DMSO: Excellent solvating power; widely compatible; potential cell stress >0.5–1%.
• Ethanol: Readily available; higher volatility; can perturb membranes at modest %.
• PEG‑400: Low volatility; increases viscosity; may affect permeability/assays.

Operational green tips:

• Consolidate freezer aliquots to reduce dry‑ice shipments and packaging waste.
• Employ reusable cold‑chain phase‑change materials where possible.
• Validate room‑temperature stability windows to minimize repeated deep‑freeze access, within the constraints of product stability (protect from light; store at −80 °C).

Pharmaceutical Uses

No pharmacopeial grade, excipient role, or clinical application is provided for this item. It is supplied solely for research use as part of the Moligand™ collection.

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

• Screening/lead identification: Compounds of this type may be used as tool molecules or test articles during target validation, hit confirmation, and SAR development.
• Preformulation research: If advancing into DMPK or in vitro ADME assays, assess solubility in biorelevant media, chemical stability, and nonspecific binding to plastics and proteins.
• Analytical reference: Once identity and purity are verified for the specific lot, material can serve as an internal reference standard for developing stability‑indicating or bioanalytical LC–MS methods.

Important limitations:

• Not an API, not GMP, and not intended for human or veterinary use. Do not use in clinical, diagnostic, or in vivo applications.

Physical Properties

Only limited physicochemical data are available in the current product record. Do not treat the following as item specifications unless explicitly stated.

Item-specific data:

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.

Storage/handling from Product Data:

• Protected from light. Store at −80 °C. Shipped on dry ice packs + cold packs.

Literature/general guidance for small-molecule library members (not item specifications):

• Many library actives are solids at ambient conditions with limited aqueous solubility and good solubility in polar aprotic solvents such as DMSO or DMF.
• Stock solutions are typically prepared at 10–50 mM in anhydrous DMSO and aliquoted to minimize freeze–thaw cycles.

Unspecified properties (do not assume; confirm via CoA):

• Melting point, boiling point, density, pKa, logP/logD, water/organic solubility, UV–Vis characteristics, refractive index: Not specified for this item; refer to CoA/Spec Sheet.

Practical notes:

• If spectroscopic quantification is required, determine an extinction coefficient empirically for your solvent system.
• For solubility screening, start with DMSO, then evaluate co‑solvents (e.g., DMF, ethanol) and aqueous vehicles with 0.5–2% DMSO. Filter through 0.22 µm if particulate persists.

Quality and Grades

• Grade/Purity designation: Moligand™

What Moligand™ implies (general description):

• Moligand™ denotes inclusion in a curated small‑molecule/ligand screening collection intended for research applications such as target validation, biochemical/cellular assay development, and SAR exploration. Compounds are typically selected for structural diversity and known or putative bioactivity profiles.

Item-specific notes:

• Exact purity, residual solvent levels, counter‑ions/salt form, and stabilizers are Not specified for this item; refer to CoA/Spec Sheet for lot‑resolved specifications.
• Each lot is supplied for research use only. No clinical, diagnostic, or in vivo therapeutic use is intended or permitted.

Practical implications for users:

• For quantitative biology or analytical work, verify purity by HPLC/UPLC and identity by HRMS/NMR against your method. If low UV background is critical (e.g., LC‑UV assays), request spectral background information.
• If working in light‑sensitive applications, note the product instruction “Protected from light” and plan handling under low‑light or amber conditions.

Documentation:

• Request the Certificate of Analysis (CoA) and Specifications Sheet for your lot to obtain confirmed purity, identity tests, and any stabilizers or counterions present.

Reaction and Applications

This item is provided as a research small molecule in the Moligand™ collection and is not primarily intended as a synthetic reagent. Accordingly, “reaction applications” in the classical synthetic sense are limited. The following focuses on practical laboratory applications in discovery workflows.

Discovery/assay applications (general guidance):

• Use as a test article in biochemical or cell‑based assays to probe pathway function, validate screening platforms, or benchmark method sensitivity. Maintain consistent vehicle content and pre‑incubation times to reduce variability.
• Reference standard: Can serve as an internal/external standard for method development (LC‑MS quant, stability‑indicating methods) once identity and purity are confirmed for the lot in hand.
• Stability studies: Evaluate compound stability under assay conditions (light, pH, protein binding, plastic adsorption). Protect from light per item instructions and minimize freeze–thaw cycles.

Analytical considerations:

• Establish a fit‑for‑purpose HPLC/UPLC method (C18 reversed phase, water–acetonitrile or water–methanol gradient with 0.1% formic acid or ammonium buffers). Detect by UV and/or MS depending on chromophore/ionization.

Not applicable/limited:

• Named reactions, catalysts, or stoichiometric use in synthesis are generally not relevant for this product as supplied. For building‑block applications, consult a dedicated synthetic grade material instead.

Reaction Conditions

Classical reaction conditions (solvents, catalysts, temperatures, and yields) are not applicable because this product is not offered as a reagent for performing chemical transformations. Instead, the relevant “conditions” relate to preparing solutions and running assays.

Assay preparation conditions (general, not item-specific):

• Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM. Sonication or brief warming (≤37 °C) may help dissolution. Protect from light throughout handling.
• Working solutions: Dilute into assay buffer to final DMSO 0.1–1% v/v, mixing thoroughly to avoid precipitation. Include matched vehicle controls.
• Stability checks: Assess solution stability over the assay timeframe (1–24 h) by LC–MS or HPLC. Store intermediate dilutions on ice and shielded from light.

Environmental controls:

• Temperature: Maintain assay temperature as required by the biological system (e.g., 25–37 °C). Avoid repeated temperature cycling of frozen stocks; use single‑use aliquots.
• Containers: Use low‑bind plastics or silanized glass vials to minimize adsorption for hydrophobic compounds.

Safety and Handling

Always consult the SDS for authoritative safety information. The following summarizes what is and is not specified for this catalog item and provides general lab practice guidance.

Item-specific hazard 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.

Provided storage conditions:

• Store at −80 °C, protected from light. Shipments are made on dry ice packs + cold packs. Allow packages to equilibrate to room temperature in a desiccator before opening to minimize condensation.

General laboratory precautions for small-molecule screening compounds (not item-specific):

• PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Handle powders in a fume hood or ventilated enclosure to avoid inhalation and dust generation.
• Avoid contact with skin, eyes, and clothing. Prevent release to the environment. Use secondary containment for transport between laboratories/freezers.
• Incompatibilities: Avoid strong oxidizers and strong acids/bases until specific compatibility is known. Prevent prolonged exposure to light and moisture to reduce risk of degradation.
• First aid overview: In case of contact, rinse with water for 15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If ingested, rinse mouth; do not induce vomiting; seek medical attention. Provide SDS to responders.
• Waste: Collect in appropriate organic waste stream; do not dispose to drain.

Solvent Selection

This product is a small‑molecule library member rather than a preparative solvent. Solvent selection guidance below focuses on preparing analytical or biological assay stocks.

General recommendations (not item specifications):

• Primary stock solvent: Anhydrous DMSO is the default for discovery compounds due to broad solvating power and assay compatibility at 0.1–1% v/v.
• Alternatives: DMF for stubborn solubility; ethanol or isopropanol for workflows sensitive to DMSO. For aqueous delivery, prepare DMSO stock and dilute into buffer containing 0.1–1% DMSO plus 0.01–0.1% nonionic surfactant if needed.
• Aqueous vehicles: Phosphate or HEPES buffers at neutral pH often tolerate up to 1% DMSO. Use co‑solvents (e.g., PEG‑400 5–20%) when DMSO must be minimized.

Polarity/miscibility profile:

• Not specified for this item; refer to CoA/Spec Sheet. As a general rule, begin with DMSO solubility screening at 10–50 mM, then test serial dilutions into your assay buffer while monitoring for precipitation (light scatter at 600–700 nm).

Practical tips:

• Warm mildly (25–37 °C) and vortex/sonicate to aid dissolution; avoid prolonged heating. Filter 0.22 µm if particulates remain.
• Record final vehicle composition in assays; vehicle controls should match DMSO and co‑solvent percentages.

Storage and Reconstitution

Item-specific conditions (from Product Data):

• Storage: Store at −80 °C, protected from light.
• Shipping: Dry ice packs + cold packs.

General reconstitution guidance for small molecules (not item-specific):

• Solvent choice: Use anhydrous DMSO to prepare concentrated stocks (e.g., 10–50 mM). If alternative solvents are required (DMF, ethanol), verify compatibility with your assay and material stability.
• Technique: Allow vial to equilibrate in a desiccator to room temperature before opening to avoid condensation. Weigh quickly, cap promptly, and purge headspace with inert gas if long‑term storage is anticipated.
• Aliquoting: Divide stock into single‑use aliquots (amber vials or light‑protective tubes) to avoid repeated freeze–thaw cycles and light exposure.
• Storage of solutions: Store DMSO stocks at −80 °C in amber containers. Record preparation date, concentration, solvent, and lot number on each aliquot. Avoid frost‑free freezers.
• Thawing/handling: Thaw on ice or at room temperature, mix gently, and use immediately. Do not refreeze partially used aliquots; discard per chemical waste regulations.

Unspecified for this item:

• Aqueous solubility limits, pH stability, and long‑term solution stability: Not specified for this item; refer to CoA/Spec Sheet and verify empirically in your system.

Structure and Identity

Short description: VU590 is listed in our Moligand small‑molecule library. Detailed structural identifiers are not provided in the current item record.

• SKU: V1494155
• Product Name: VU590
• CAS: 313505-85-0
• CID: 71433535 (literature identifier)
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: 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 (general notes):

• This listing is part of a curated screening collection (Moligand). Specific ring systems, heteroatoms, tautomerism, and stereochemistry are not provided in the current record.
• If your workflow requires exact atom connectivity (e.g., for docking, QSAR, or target deconvolution), request the latest CoA/Spec Sheet or structure file from Aladdin Scientific to confirm identifiers before use.

2D structure description (general guidance):

• For cheminformatics integration, use the PubChem CID above to source a vendor‑neutral 2D representation (literature). Always reconcile against the batch CoA to ensure the supplied lot matches public records.

Synthetic Utility

This catalog item is offered as a finished small molecule for biological research rather than as a synthetic intermediate. As such, its direct value in routine organic synthesis is limited.

Potential uses in a chemistry workflow (general, not item-specific):

• Analytical standard: Calibrate and validate chromatographic and mass spectrometric methods used to track the compound in complex matrices (e.g., microsomes, cell lysates), once lot identity/purity are confirmed.
• Degradation pathway studies: Subject the compound to forced degradation (acid/base, oxidative, photolytic, thermal) to elucidate likely degradation products and to develop stability‑indicating methods.
• Derivatization for probes: If compatible with the structure (confirm via CoA/structure), chemists may explore installing reporter handles (biotin/fluorophore/linkers) to create affinity or imaging probes; this requires confirmed functional groups and is outside the scope of the supplied material.

Not applicable:

• No named synthetic transformations or building‑block roles can be recommended without disclosed functional groups and reactivity. For preparative chemistry, source dedicated reagents with specified functionality.

Target Specificity

Only item-specific data may be listed here.

• Target(s), binding site/epitope, species selectivity, and mechanism: Not specified for this item; refer to CoA/Spec Sheet and primary literature as applicable.

Guidance:

• If target engagement is critical to your study, confirm activity using orthogonal assays and, where possible, cross‑reference with authenticated reference material. Document the batch/lot number and analytical confirmation for reproducibility.