U0126-EtOH - 10mM in DMSO , CAS No.1173097-76-1

CAS: 1173097-76-1 Cat. No.: U408109 Formula: C₁₈H₁₆N₆S₂.C₂H₆O Peso molecolare: 426.56 PubChem CID: 16220066

QUALITÀ & PUREZZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Information

In vitro

U0126-EtOH functionally antagonizes AP- 1 transcriptional activity and blocks the production of a variety of cytokines and metalloproteinases involved in the inflammatory response. U0126-EtOH inhibits T cell proliferation in response to antigenic stimulation or cross-linked anti-CD3 plus anti-CD28 Abs without effect on IL-2-induced proliferation by down-regulating IL-2 mRNA levels. A recent study shows that U0126-EtOH antagonizes resveratrol-induced apoptosis in castration-resistant human prostate cancer C4-2 cells, inhibits mitochondrial function and shifts cells to aerobic glycolysis independently of MEK.

In vivo

U0126-EtOH, as the inhibitor of intracellular Raf/MEK/ERK signaling pathway, demonstrates antiviral activity by suppressing propagation of the 2009 pandemic IV H1N1 variant and highly pathogenic avian influenza viruses (HPAIV) in vivo in the mouse lung by inhibiting. U0126-EtOH shows the potential neuroprotective effect and improving spatial learning in Morris water maze (MWM) by activating peroxisome proliferator-activated receptor gamma coactivator-1a, nuclear respiratory factor 1, and mitochondrial transcription factor A in Aβ-injected rats.
Cell Data

cell lines：

Concentrations：0 to 10 μM

Incubation Time：48 hours

Powder Purity:≥99%

Specifiche

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

U0126-EtOH is a highly selective inhibitor of MEK1/2 with IC50 of 0.07 μM/0.06 μM in cell-free assays, 100-fold higher affinity for ΔN3-S218E/S222D MEK than PD98059. U0126 inhibits autophagy and mitophagy with antiviral activity.

Condizioni di conservazione di stoccaggio

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.

Nomi e identificatori

Isomeri SMILES

CCO.C1=CC=C(C(=C1)N)S/C(=C(/C(=C(/SC2=CC=CC=C2N)\N)/C#N)\C#N)/N

PubChem CID

16220066

Peso molecolare

426.56

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 40 mg/mL (163.41 mM); Water: 40 mg/mL (163.41 mM); Ethanol: 40 mg/mL

Application Protocols

No tested application protocols are provided for this item in the catalog.

General laboratory guidance (non-validated; adjust to your system)

• Stock preparation: Dissolve the solid in anhydrous DMSO (or ethanol) to a convenient concentration. Vortex and sonicate briefly if needed. Filter through 0.22 µm PTFE if particulate persists.
• Working solutions: Add stock slowly to vigorously mixed buffer/media to achieve the desired final concentration while keeping the vehicle percentage within assay tolerances. Prepare fresh just before use.
• Controls: Include vehicle controls matched to the highest solvent percentage used. Consider a concentration-response series to define assay windows.
• Documentation: Record lot number, preparation date, solvent, and any observed precipitation or color changes. Where critical, verify concentration by LC–MS or UV–Vis.

These steps are offered as general best practices for small-molecule research compounds and are not specific, validated protocols for this product.

Biological Roles

Item-specific biological target information is not provided in this catalog entry.

General literature context (not item-specific claims)

• U0126-EtOH is widely referenced as the ethanol solvate of a well-known, cell-permeable small molecule used in signaling research. Such compounds are commonly applied to modulate intracellular pathways in vitro to interrogate biochemical mechanisms. However, specific targets, potencies, and selectivities are outside the scope of this product description and should be confirmed from primary literature if required for study design.
• Use domain: Basic research only—biochemical assays, cell culture, and related in vitro systems under controlled laboratory conditions. Not for diagnostic, therapeutic, or in vivo use.

Practical considerations

• Vehicle controls: Include matched DMSO/EtOH controls to deconvolute vehicle effects from biological responses.
• Adsorption/instability: Low-concentration solutions may adsorb to plastics or degrade upon storage; verify concentration and integrity in critical assays (e.g., LC–MS check).
• Reversibility: Many pathway probes exhibit reversible effects dependent on exposure and washout; characterize kinetics empirically for your system.

Always consult the primary literature and your institutional biosafety guidance when planning experiments with bioactive small molecules.

Buffer Applications

This product is not a buffering agent and is not used to prepare buffer systems. For experimental work, it is typically dissolved in an organic vehicle (e.g., DMSO or ethanol) and then diluted into pre-made biological buffers.

Practical tips

• Prepare buffers (e.g., PBS, HBSS, assay-specific buffers) independently and adjust pH/ionic strength before introducing the compound.
• Add the compound stock last, with vigorous mixing, to minimize localized supersaturation and precipitation.
• Keep final organic solvent content within established assay tolerances (commonly ≤0.1–0.5% v/v, assay-dependent).

Green Alternatives

Green chemistry considerations here pertain mainly to solvent handling during stock preparation and assay workflows rather than substitution of the active compound itself.

• Prefer greener co-solvents where compatible: DMSO and ethanol are widely accepted and comparatively benign in small quantities. Avoid chlorinated solvents for routine stock prep.
• Minimize solvent volumes: Use high-concentration DMSO/EtOH stocks to reduce total solvent load in aqueous systems, keeping final organic content as low as assay tolerances allow.
• Waste reduction: Consolidate DMSO/EtOH waste streams; apply microscale handling, low-dead-volume vials, and precise dispensing to minimize excess.

Comparison of common vehicles (general)

• DMSO: High solvency, low volatility, good EHS profile relative to many aprotic solvents; readily recyclable. Potential biological effects at higher % require control experiments.
• Ethanol: Renewable feedstock, biodegradable, low persistence; flammable/volatile and can influence biological systems above low %.
• DMF/Acetonitrile: Effective but less preferred from a green perspective (toxicity and sourcing). Use only if necessary and capture for proper disposal.

Note: There are no “green substitutes” for the active scaffold itself in the context of using this exact research compound. Focus on greener diluents, microscale operations, and responsible waste management.

Pharmaceutical Uses

No excipient or pharmacopeial status is specified for this item, and it is sold strictly for research use only.

Context (general, non-clinical)

• Research tool compound: Used in preclinical laboratory settings as a reference standard or probe in mechanistic studies. Not suitable for human or veterinary use, drug formulation, or clinical trials.
• Manufacturing/formulation: Not indicated as an excipient; no compendial monograph is provided.

Compliance notes

• Follow institutional guidelines for handling and disposal of non-GMP research chemicals.
• For any regulated work (GLP/GMP), obtain and review a full quality package (CoA, method validation, stability data) and qualify the material per your quality system if considered for nonclinical analytical purposes.

Physical Properties

Item-specific properties

• Appearance: 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 applicable to a non-volatile solid; specific data not provided for this item.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable to a solid; not specified for this item.
• Water/solvent content (EtOH stoichiometry): Not specified for this item; refer to CoA/Spec Sheet (TGA/Karl Fischer when available).

General/literature guidance (not item specifications)

• Physical form: U0126-EtOH is typically isolated as a solid ethanol solvate; solvates may partially desolvate upon heating or under vacuum. Verify by TGA before weight-normalized dosing.
• Solubility behavior: Small-molecule bioactives of this class are commonly soluble in DMSO and ethanol; aqueous solubility is often limited unless cosolvents or complexation (e.g., cyclodextrins) are used. Always confirm solubility with a small pre-test at intended concentrations.
• Partitioning: Diaryl, moderately polar scaffolds often exhibit logP in the mid range in literature; no item-specific logP is provided here and should not be inferred.
• Hygroscopicity: Solvate integrity may be influenced by humidity; handle quickly in low-humidity conditions if accurate mass dosing is critical.
• Solid-state considerations: Grinding/micronization can alter desolvation kinetics and apparent solubility. Consider consistent sample prep across experiments.

All numeric values not listed above are not specified for this item and should be obtained from the lot-specific CoA or measured experimentally.

Quality and Grades

• Grade/purity: Not specified for this item; refer to CoA/Spec Sheet. Do not assume analytical or bioassay grade in the absence of explicit designation.
• Typical characterization for small-molecule research compounds (general, not item-specific):
  • Identity: 1H/13C NMR, HRMS, and/or LC–MS; X-ray single crystal data may confirm solvate stoichiometry when available.
  • Purity: HPLC/UPLC area % with multiwavelength detection; orthogonal methods (NMR qNMR) for confirmation.
  • Residual solvents/water: GC for volatile organics; Karl Fischer for moisture; TGA for solvate content. For ethanol solvates, TGA can quantify ethanol mass fraction; do not rely on theoretical values without measurement.
  • Inorganic residues: Elemental analysis/ICP as needed.
• What the designation means: If labeled as “bioactive screening grade” (not specified here), this often implies high chromatographic purity with low non-volatile residue and acceptable UV background; verify on CoA.
• Stabilizers/inhibitors: Not specified for this item. If present, stabilizers would be listed on the CoA and may influence bioassays.
• Lot-to-lot considerations: For solvates, small variations in solvent content affect mass-based dosing. Where activity is dose-critical, normalize by active base content (e.g., by TGA-corrected assay) rather than gross mass.

Reaction and Applications

This product is supplied as a research small molecule and is not typically used as a synthetic reagent or reaction solvent.

Applicable laboratory uses (general, non-clinical)

• Reference standard/control: Employed as a defined small molecule in biochemical or cellular research to benchmark pathways or validate assay responsiveness (literature context). Specific target information is not provided for this item.
• Compound library member: Suitable for high-throughput or focused screening collections, structure–activity relationship exploration, or orthogonal assay confirmation.
• Analytical development: Method development for LC–MS/UPLC quantitation in complex matrices; stability-indicating methods (monitoring desolvation/degradation) under various storage and assay conditions.

Not typically applicable

• As a nucleophile/electrophile, ligand, or catalyst in conventional organic synthesis—no reactivity profile is provided or implied for this catalog item.

Practical tips (general)

• Prepare fresh working dilutions immediately before use; avoid prolonged exposure of working solutions to ambient light/air if the scaffold is chromophoric or air-sensitive (check experimentally).
• Verify concentration by UV–Vis or LC–MS when dosing accuracy is critical. For solvates, account for possible ethanol content via TGA or qNMR to normalize “active base” content.

Reaction Conditions

Not applicable. This product is not intended for use as a reagent in chemical reactions, and no catalytic or stoichiometric reactivity profile is provided for this catalog item.

For users developing analytical methods or formulations (general guidance)

• Solvent system: DMSO or ethanol stocks, followed by dilution into compatible aqueous buffers for in vitro work.
• Temperature: Prepare and handle at ambient temperature; avoid elevated temperatures that could promote desolvation or degradation unless specifically studying these effects.
• Light/air: If the compound exhibits UV-visible absorbance, protect working solutions from strong light to mitigate potential photodegradation (determine empirically).

For any transformation or derivatization studies, design conditions de novo and confirm with small-scale tests—no reaction condition benchmarks are available for this item.

Safety and Handling

Authoritative safety information is contained in the product SDS. The following are general laboratory precautions for small-molecule bioactives and ethanol solvates.

Item-specific hazard data

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / H-statements / pictograms: Not specified for this item; refer to SDS.

General precautions (good laboratory practice)

• PPE: Wear lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Use in a fume hood to avoid dust/aerosol inhalation.
• Avoid exposure: Prevent inhalation of dust, ingestion, and skin/eye contact. Bioactive research compounds should be handled as potentially harmful even in the absence of full hazard classification.
• Combustibility: Ethanol solvates can release ethanol upon heating/vacuum; keep away from ignition sources and hot surfaces. Avoid grinding near sparks or flames.
• Incompatibilities: Strong oxidizers, strong acids/bases may degrade organic scaffolds; avoid moisture if desolvation state must be preserved.
• First aid (overview; defer to SDS): If inhaled, move to fresh air; for skin contact, wash with soap/water; for eye contact, rinse cautiously with water for several minutes; if ingested, rinse mouth and seek medical attention. Provide SDS to medical personnel.
• Spill response: Avoid dust formation. Sweep/HEPA vacuum solids; wipe with solvent-compatible absorbents. Dispose of waste per institutional and regulatory requirements.
• Transport/storage risks: Maintain cold chain as provided. Thermal excursions can alter solvate content and physical form.

Solvent Selection

This compound is a research small molecule typically prepared as concentrated stock solutions for in vitro use rather than employed as a reaction solvent.

General guidance (literature/practice; not item-specific specs)

• Primary stock solvent: Anhydrous DMSO is commonly preferred for hydrophobic bioactives due to high solvating power and compatibility with biological assays at low final percentages (≤0.1–0.5% v/v). Ethanol is a viable alternative where DMSO is undesirable.
• Aqueous handling: Direct water dissolution is often limited. Use stepwise dilution: prepare a DMSO or ethanol concentrate, then add slowly to buffered aqueous media with mixing to avoid precipitation. Include surfactants or carrier proteins only if validated for the assay.
• Cosolvent strategies: DMSO:H2O, EtOH:H2O, or DMSO:PEG400:H2O blends can improve apparent solubility and minimize precipitation on dilution. Validate matrix effects on the readout.
• pH effects: If the scaffold bears weakly basic/acidic sites, solubility may be pH-dependent; however, no pKa data are specified for this item—determine empirically.
• Adsorption minimization: For low-µM/nM work, use low-binding plastics or silanized glass; pre-rinse vessels with dilute stock to reduce wall loss.

Quick comparison (general)

• DMSO: maximal solubilization, broad assay compatibility; may interfere in some enzyme/cell assays at higher %.
• Ethanol: volatile, good miscibility, easier removal; cytotoxicity rises above low %; flammable.
• DMF/Acetonitrile: strong solvents but less favored in biological systems; evaluate toxicity and compatibility carefully.

Storage and Reconstitution

Item-specific instructions (from catalog)

• Storage conditions: Store at -80°C.
• Shipped in: Dry ice packs + Cold packs.

General best practices for this compound class (not item-specific specifications)

• As-received solid: Keep tightly closed in the original container to limit moisture uptake and unintended desolvation. Allow the container to equilibrate to room temperature in a desiccator before opening to minimize condensation.
• Aliquoting: If frequent access is anticipated, subdivide into single-use aliquots under dry conditions. This reduces freeze–thaw cycles and exposure to ambient humidity.
• Reconstitution: Dissolve in anhydrous DMSO (preferred) or ethanol to prepare concentrated stocks. Mix gently until fully dissolved; brief sonication may help. Confirm clarity; if necessary, warm slightly (e.g., to 25–30°C) to aid dissolution, avoiding prolonged heating.
• Storage of solutions: Store frozen aliquots at ≤-20°C (or as dictated by your stability data). Minimize freeze–thaw; thaw just before use. Protect from light if the compound is photosensitive (establish empirically).
• Stability notes: The exact chemical stability and solvate integrity over time are not specified for this item; verify by LC–MS/HPLC and, for solids, by TGA/PXRD if accurate solvate stoichiometry is important to your work.
• Disposal: Follow institutional chemical waste procedures for organic solvents and bioactive research compounds.

Research use only.

Structure and Identity

Brief overview: U0126-EtOH is commonly referenced in the literature as an ethanol solvate form of the small-molecule research tool U0126; however, this catalog entry does not specify structural descriptors for this item. Use the product’s CoA/SDS for definitive identification parameters.

• SKU: U408109
• Product name: U0126-EtOH
• CAS: 1173097-76-1 (catalog-provided)
• PubChem CID: 16220066 (catalog-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.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general literature context, not item-specific):

• U0126-EtOH is described in publications as the ethanol solvate of U0126. Solvates typically incorporate one or more solvent molecules in the crystal lattice; the exact stoichiometry should be confirmed on the specific lot’s CoA (e.g., via TGA/elemental analysis) and must not be assumed.
• 2D structure description (literature, general): the parent U0126 scaffold is a substituted diaryl compound bearing conjugated functionality and heteroatoms that confer moderate polarity; the EtOH solvate contains ethanol associated non-covalently with the active scaffold in the solid state. Precise atom connectivity and stereochemistry are not provided in this listing and should be sourced from the CoA or authoritative databases if needed for modeling or registration.

Synthetic Utility

This material is supplied as a finished small-molecule research compound rather than a synthetic reagent.

Not typically applicable

• It is not generally employed as a building block, ligand, catalyst, or solvent in preparative organic synthesis.

Potential laboratory uses (general)

• Analytical standard: May serve for method development and calibration in LC–MS or UPLC assays when quantifying the compound in formulations or biological matrices.
• Solid-state studies: If needed, the ethanol solvate can be a subject for polymorph/solvate investigations (PXRD, DSC, TGA) to understand desolvation behavior and its impact on handling.

If you require a precursor or intermediate for synthetic campaigns, consult our catalog for structurally related building blocks specifically offered for synthetic use, as this item is not positioned for chemical transformations.

Target Specificity

Not specified for this item; refer to primary literature and independent validation if biological target or pathway information is required for your application.

Catalog note

• No antigen/epitope, clone, isotype, or species-reactivity data apply, as this is a small-molecule chemical, not an antibody or biologic.