GNE-064 - 10mM in DMSO , CAS No.1997321-20-6

CAS: 1997321-20-6 Cat. No.: G655110 Formula: C₁₇H₂₁N₅O₂ Peso molecolare: 327.38

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

GNE-064 (compound 5) is a selective, orally active and highly soluble inhibitor of SMARCA4 , SMARCA2 and PBRM1 bromodomains 5. GNE-064 inhibits SMARCA4 with an IC 50 of 0.035 μM and inhibits SMARCA2 with an EC 50 of 0.10 μM. GNE-064 possess K d s with 0.01, 0.016, 0.018 and 0.049 μM for SMARCA4, SMARCA2, PBRM1 bromodomains 5 and PBRM1 bromodomains 2, repectively. GNE-064 can be used as a chemical probe for the research of agent synthesis

In Vitro

GNE-064 (0-0.5 μM; 1 h) inhibits SMARCA2 in ZsGreen-SMARCA2 BD-expressing U2OS cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: ZsGreen-SMARCA2 BD-expressing U2OS cells Concentration: 0-0.5 μM Incubation Time: 1 hour Result: Inhibited SMARCA2 in ZsGreen-SMARCA2 BD-expressing U2OS cells with an EC 50 of 0.1 μM.

In Vivo

GNE-064 (compound 5) (0.5 and 1.0 mg/kg; i.v. and p.o. once ) exibits ideal pharmacokinetics value in female CD-1 mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female CD-1 mice Dosage: 0.5 mg/kg (i.v.) and 1.0 mg/kg (p.o.) Administration: Intravenous injection and oral gavage; 0.5 mg/kg and 1.0 mg/kg once Result: Showed a low unbound plasma clearance with 16 mL/min/kg, a reasonable half-life of 1.1 h and good oral bioavailability of 59%.

IC50& Target:IC50: 0.035 μM (SMARCA4)

Specifications

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

GNE-064 (compound 5) is a selective, orally active and highly soluble inhibitor of SMARCA4 , SMARCA2 and PBRM1 bromodomains 5. GNE-064 inhibits SMARCA4 with an IC 50 of 0.035 μM and inhibits SMARCA2 with an EC 50 of 0.10 μM. GNE-064 possess K d s with 0.0

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.

Tipo di azione

INHIBITOR

Nomi e identificatori

• Peso molecolare: 327.38

Application Protocols

No tested application protocols are provided for GNE-064 in the product data.

• Validated applications (WB, IHC, IF, FC, etc.): Not applicable; GNE-064 is a small molecule, not an antibody or staining reagent.
• Recommended working concentrations, positive controls, and procedural steps: Not specified for this item; refer to internal method development and the CoA/Spec Sheet.

General guidance for small-molecule assay setup:

• Prepare a DMSO stock (e.g., 10 mM) and perform serial dilutions on-plate to minimize handling.
• Include vehicle-only controls and, where possible, a mechanistically related reference compound.
• For cell-based work, verify compound tolerance and vehicle effects on your specific cell line before full experiments.

Biological Roles

Item-specific biological targets, mode of action, and pathway engagement for GNE-064 are not provided in the product data. No claims are made regarding activity or selectivity.

General considerations for small-molecule screening probes:

• Potential roles: Depending on its structure (not disclosed here), a screening compound may interact with enzymes, receptors, ion channels, transporters, or protein–protein interfaces. Empirical profiling is required to define any biological role.
• Assay design: Start with broad phenotypic or biochemical assays, then follow with orthogonal target engagement tools (e.g., thermal profiling, chemical proteomics) to confirm specificity.
• Data integrity: Assess interference risks such as fluorescence quenching/enhancement, redox cycling, aggregation-based inhibition, or pan-assay interference (PAINS)-like motifs using appropriate controls and counterscreens.
• Physicochemical alignment: Key parameters that often correlate with tractable biological roles include moderate lipophilicity, absence of reactive moieties, and chemical stability under assay conditions; determine these experimentally for your lot.

Note: For research use only. No medical, diagnostic, or clinical application is implied.

Buffer Applications

This product is not a buffering reagent. Buffer system selection is therefore not directly applicable to GNE-064.

Practical note for assay use (general):

• When preparing assay buffers for compound testing, select systems with minimal compound interaction and acceptable DMSO tolerance (e.g., HEPES, PBS, or Tris, depending on biological requirements). Maintain consistent ionic strength and pH across vehicle and treated samples.
• Verify that the chosen buffer does not precipitate or degrade the compound upon dilution from DMSO stocks.

Green Alternatives

Because GNE-064 is supplied as a discrete small-molecule library compound (not a bulk solvent or common reagent), conventional “green alternative” substitution frameworks do not directly apply.

General sustainability considerations for handling small molecules:

• Solvent choice: Prefer lower-toxicity, lower-VOC solvents for cleaning and workup where compatible (e.g., ethanol or isopropanol instead of chlorinated solvents). For stock solutions, DMSO remains standard; minimize solvent volumes and waste.
• Waste minimization: Utilize miniaturized assay formats (384/1536-well) to reduce compound and solvent consumption. Implement on-plate serial dilutions to limit additional plasticware and solvent use.
• Energy efficiency: Store only required aliquots at ultra-low temperatures (−80°C). Archive or dispose of expired stocks to reduce repeated cold-chain handling cycles.
• Documentation: Maintain digital inventory and tracking to limit redundant orders and shipments.

Trade-offs:

• While greener solvents or reduced DMSO content are desirable, assay performance and compound solubility/stability govern feasibility. Validate greener choices experimentally to avoid data quality losses.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation use is provided for GNE-064. It is offered strictly for research use only and not for human or veterinary applications.

Context for R&D (general, non-clinical):

• Early discovery: Can be used in in vitro assays to explore structure–activity relationships and to prioritize chemical matter for further optimization.
• Pre-formulation research: If activity is observed, preformulation studies may examine solubility enhancement strategies (cosolvents, cyclodextrins, lipid-based vehicles) for non-clinical models; such activities are outside the scope of this product listing and require independent validation.

Compliance note:

• Not intended for use in pharmaceutical manufacturing or as an API/excipient. No claims are made regarding GMP grade, residual solvent compliance, or ICH specifications.

Physical Properties

Item-specific physicochemical data are not provided in the product record for GNE-064.

• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting/boiling point: Not specified for this item; refer to CoA/Spec Sheet.
• Density, refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.

General laboratory guidance (literature/practice, not item-specific):

• Most small-molecule library members are supplied as dry films or lyophilized solids and are typically soluble in anhydrous DMSO at 10–50 mM for screening stock solutions. Confirm solubility empirically before scaling.
• When reconstituting in aqueous buffers, cosolvents (e.g., DMSO 0.1–1% v/v) and gentle warming/sonication can aid dissolution if compatible with your assay.
• If the item is moisture- or light-sensitive (unknown here), prepare and store stocks under inert gas, in amber vials, at low temperature.

Note: For authoritative, lot-specific values (purity, water content, residual solvents, and polymorph information), consult the CoA/Spec Sheet supplied with the shipment or request it from Aladdin Scientific.

Quality and Grades

Item-specific quality grade, purity assay, and stabilizer information are not listed in the provided data for GNE-064.

What to expect and how to interpret grades (general guidance for small-molecule libraries):

• Screening/compound library grade: Typically intended for in vitro research, hit-finding, and target validation. Purity is often ≥95% by HPLC/UPLC unless otherwise noted, but you must confirm against the lot’s CoA.
• Stabilizers or counterions: Some molecules are supplied as specific salts or with trace stabilizers to enhance shelf life. None are specified for this item; refer to CoA/Spec Sheet.
• UV/fluorescence characteristics: For LC-UV tracking and assay interference evaluation, consult spectral data when available on the CoA or request from tech support.

Item-specific notes:

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

Recommendations:

• Verify identity and purity upon receipt (HPLC/UPLC and MS). Document retention time relative to reference.
• For bioassays sensitive to impurities (e.g., biochemical enzyme assays or cellular phenotypes), consider additional purification or use freshly prepared stocks to minimize degradation products.

Reaction and Applications

This product is positioned as a small-molecule library member for screening and probe development rather than as a synthetic reagent. No manufacturer application notes are provided beyond research use.

Research applications (general guidance for library compounds):

• Primary use: Hit identification and validation in biochemical or cell-based assays. Suitable for concentration–response profiling, SAR exploration (when analogs are available), and orthogonal assay confirmation.
• Mechanistic studies: Can be evaluated for on-target vs off-target effects using counterscreens, thermal shift assays (DSF), CETSA, target engagement by NanoBRET, or activity-based readouts.
• ADME profiling: Determine solubility, stability in buffer/serum, microsomal stability, and permeability (PAMPA/MDCK) to contextualize biological readouts.

Not typically applicable as a reaction reagent:

• Named reactions, catalysts, or stoichiometric transformations are not relevant unless the compound is repurposed as a building block, which is not indicated here.

Good practices:

• Use freshly thawed DMSO stocks and minimize freeze–thaw cycles.
• Validate concentration by UV-Vis or quantitative NMR where possible.
• Include appropriate vehicle controls and reference standards to benchmark activity.

Reaction Conditions

Classical synthetic reaction conditions are not applicable because GNE-064 is positioned as a finished small-molecule screening compound rather than a reagent.

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

• Stock solutions: Dissolve in anhydrous DMSO (typical 10–50 mM). Vortex and, if needed, briefly sonicate. Filter through 0.22 µm PTFE if particulate persists.
• Working concentrations: Common assay ranges are 0.01–30 µM, adjusted based on observed potency and cytotoxicity. Always include DMSO-matched vehicle controls.
• Incubation: For cellular assays, 0.1–0.5% DMSO is often tolerated; verify for your cell line. Preincubation times vary (15 min to several hours) depending on target engagement kinetics.
• Stability checks: Evaluate stability in assay buffer/media over the experiment duration by LC–MS or HPLC to ensure constant exposure.

Important: These are general, literature-based practices for small molecules and are not item-specific conditions. Optimize for your biological system and consult the SDS for handling constraints.

Safety and Handling

Hazard information for this specific item is not provided in the product data.

• Signal word (GHS): 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 precautions (good practice; defer to SDS for authoritative guidance):

• Handle in a chemical fume hood with appropriate PPE: lab coat, safety glasses, and chemical-resistant gloves (e.g., nitrile). Avoid inhalation of dust or aerosols and prevent skin/eye contact.
• Prevent exposure to heat, sparks, and open flame. Many organic solids can combust; avoid dust accumulation.
• Incompatibilities are compound-specific; in the absence of details, segregate from strong oxidizers, strong acids/bases, and reactive reducing agents.
• First aid (overview): In case of skin/eye contact, rinse with water for at least 15 minutes and remove contaminated clothing. If inhaled, move to fresh air. If ingested, rinse mouth and seek medical attention. Always follow your institution’s EHS protocols.
• Waste disposal: Collect as organic hazardous waste; do not discharge to drain. Follow local regulations and SDS guidance.

Documentation: Request and review the Safety Data Sheet (SDS) for GNE-064 prior to use. The SDS supersedes general advice herein.

Solvent Selection

No item-specific solubility data are provided for GNE-064. The guidance below reflects common practice for small-molecule screening compounds and should be validated experimentally for this item.

• Primary stock solvent (general): Anhydrous DMSO is the default choice due to broad solvating power and compatibility with high-throughput screening (HTS). Typical stock concentrations: 10–50 mM.
• Aqueous compatibility: For assays requiring aqueous media, dilute DMSO stocks into buffer to a final DMSO content of 0.1–1% v/v, ensuring acceptable vehicle control effects.
• Alternative solvents (if needed, literature/practice): DMF or ethanol can be used for initial dissolution, followed by dilution into buffer or culture media, if assay-compatible.
• Miscibility considerations: DMSO is miscible with water and many organic solvents; avoid precipitate formation upon dilution by adding compound stock slowly with mixing.

Comparison (general, not item-specific):

• DMSO vs. ethanol: DMSO has higher solvency for polar and moderately lipophilic compounds; ethanol may be preferable for certain hydrophobic molecules when lower cytotoxicity is needed at a given percentage.
• DMF: Excellent solvency but less favored biologically; ensure DMF content is kept minimal in cell-based assays.

Tip: Confirm solubility and absence of aggregation by visual inspection, nephelometry, or light-scattering methods, and consider filtering through 0.22 µm PTFE if compatible.

Storage and Reconstitution

Storage conditions (item-specific):

• Store at −80°C.
• Shipped on dry ice packs + cold packs to maintain cold chain integrity.

Reconstitution (general guidance; item-specific solubility not provided):

• Use anhydrous DMSO to prepare concentrated stocks (e.g., 10–50 mM) unless your CoA indicates a preferred solvent. Mix thoroughly and confirm complete dissolution.
• Aliquot immediately into low-bind, inert vials or plates to avoid repeated freeze–thaw cycles.
• For aqueous working solutions, dilute DMSO stocks into pre-chilled buffer or media with vigorous mixing to prevent precipitation; maintain consistent final DMSO across controls and treatments.

Stability and handling:

• Protect from moisture and light when possible. Work quickly on ice or at room temperature as appropriate, then return to −80°C storage.
• Track freeze–thaw cycles; many small molecules remain stable for 1–3 cycles, but stability is compound-dependent. If stability is unknown, prepare single-use aliquots.

Item-specific specifications (appearance, purity, stabilizers, shelf life):

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

Note: For research use only.

Structure and Identity

Brief overview: GNE-064 is listed in our small-molecule compound library as a research screening compound. Item-specific structural identifiers are not disclosed in the product data below.

• CAS: 1997321-20-6 (catalog reference)
• IUPAC/Chemical name: 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.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChI / InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• Synonyms: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general guidance):

• Without a disclosed structure, functional groups, ring systems, and stereochemistry cannot be detailed for this specific item.
• For identity confirmation in your lab, we recommend orthogonal checks such as HRMS, 1H/13C NMR, and HPLC/UPLC purity profiling, using the CoA-supplied reference when available.

2D structure description:

• Not available for this item in the provided data. Please consult the CoA/Spec Sheet or reach out to Aladdin Scientific technical support for structural files (SDF/MOL) when accessible under your license.

Synthetic Utility

GNE-064 is supplied as a discrete screening compound rather than a modular building block, and no functional handle or protecting-group strategy is specified in the product data. As such, it is not promoted for general synthetic transformations.

General considerations if derivatization is contemplated (user-driven research):

• Structural data required: Obtain the compound’s structure (from CoA or literature) before planning modifications. Identify modifiable positions that preserve putative activity (e.g., vector points for SAR or probe conjugation).
• Bioconjugation: If an appropriate functional group is present (unknown for this item), common linkers for affinity probes or tracers include alkyl amines, azides/alkynes (for click chemistry), and NHS esters, contingent on the molecule’s stability.
• Analytical control: Use LC–MS, NMR, and HRMS to confirm integrity post-modification. Monitor for epimerization, hydrolysis, or oxidative degradation during derivatization.

Conclusion: Without a disclosed structure, no specific synthetic pathways or named-reaction applicability can be recommended for this item.

Target Specificity

No target, pathway, or selectivity information is provided for GNE-064 in the product data.

• Target(s): Not specified for this item; refer to CoA/Spec Sheet or primary literature if available.
• Selectivity profile: Not specified for this item; refer to CoA/Spec Sheet.
• Species reactivity: Not applicable; this is a small molecule rather than a biologic.

Guidance (general): If you plan to use GNE-064 as a probe, establish target specificity through orthogonal assays (e.g., enzymatic IC50/Ki determination, CETSA/NanoBRET for cellular engagement, and panel screening to assess off-targets).