NXT629 - 10mM in DMSO , CAS No.1454925-59-7

CAS: 1454925-59-7 Cat. No.: N656607 Fórmula: C₃₅H₃₉N₅O₃S Peso molecular: 609.78 PubChem CID: 71721539

CALIDAD & PUREZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

NXT629 is a potent, selective, and competitive PPAR-α antagonist, with an IC 50 of 77 nM for human PPARα , shows high selectivity over other nuclear hormone receptor, such as PPARδ , PPARγ , ERβ , GR and TRβ, IC 50 s are 6.0, 15, 15.2, 32.5 and >100 μM, respectively NXT629 has potent anti-tumor activity and inhibits experimental metastasis of cancer cell in animal models .

In Vitro

NXT629 (Compound 33) is a potent, selective PPAR-α antagonist, with an IC 50 of 77 nM for human PPARα, shows high selectivity over other nuclear hormone receptor, such as PPARδ, PPARγ, Erβ, GR and TRβ, IC 50 s are 6.0, 15, 15.2, 32.5 and >100 μM, respectively. NXT629 also competitively inhibits mousse PPARα, PPARβ/δ and PPARγ, with IC 50 s of 2.3, 35.1, 6.9 μM, resepctively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

NXT629 (Compound 33; 30 mg/kg, i.p.) exhibits good pharmacokinetics in mouse, and significantly decreases Fgf21 (Fibroblast growth factor 21), a PPARα target gene in fasted mice . NXT629 has poor oral bioavailability in mice and rats. NXT629 (30 mg/kg, i.p., daily for 6 weeks) delays growth of subcutaneous SKOV-3 tumors in nude mice, inhibits growth of subcutaneous B16F10 tumors in C57Bl/6 mice. NXT629 (30 mg/kg, i.p.) is weakly anti-angiogenic against FGF-induced angiogenesis. NXT629 (3, 30 mg/kg, i.p.) inhibits experimental metastasis of B16F10 melanoma cells to the mouse lung. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

IC50& Target:hPPARα|77 nM (IC|50|)|hPPARδ|6 μM (IC|50|)|hPPARγ|15 μM (IC|50|)|ERβ|15.2 μM (IC|50|)|GR|32.5 μM (IC|50|)

Especificaciones

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

NXT629 is a potent, selective, and competitive PPAR-α antagonist, with an IC 50 of 77 nM for human PPARα , shows high selectivity over other nuclear hormone receptor, such as PPARδ , PPARγ , ERβ , GR and TRβ, IC 50 s are 6.0, 15, 15.2, 32.5 and >100 μM, r

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ANTAGONIST

Nombres e identificadores

Isómeros SMILES

CCN1C(=NN(C1=O)CC2=CC=C(C=C2)C(C)(C)C)CCCC3=CC=C(C=C3)C4=NC=C(C=C4)NS(=O)(=O)C5=CC=CC=C5

PubChem CID

71721539

Términos de entrada MeSH

NXT629

Peso molecular

609.78

Objetivos asociados (humanos)

PPARA Tclin Peroxisome proliferator-activated receptor alpha (1 Activities)

Discover Target: PPARA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Application Protocols

Tested applications and recommended conditions are not specified for NXT629 in this listing.

General-purpose handling protocols for small-molecule stocks (research use only):

• Stock preparation: Dissolve in anhydrous DMSO to a convenient concentration (e.g., 10 mM). Vortex and, if needed, sonicate gently. If particulates persist, warm to ~30–40°C briefly or centrifuge/0.2 µm filter.
• Aliquoting: Dispense into single-use vials or plate wells (e.g., 10–50 µL) to avoid repeated freeze–thaw. Seal with solvent-resistant caps/films.
• Dosing: Add to assay at the final desired concentration, holding vehicle constant across conditions (e.g., 0.1–1.0% DMSO). Mix thoroughly and verify absence of precipitation.
• Stability checks: For multi-day experiments, verify potency/peak area by LC–MS over time at storage and working temperatures.

If your application requires specific directions (e.g., biochemical assay composition, cell-culture compatibility), please consult your internal SOPs and the CoA/Spec Sheet, as no item-specific protocols are provided here.

Biological Roles

Item-specific biological targets, pathways, or phenotypic activities for NXT629 are not provided in this listing.

General context for small-molecule research tools (general guidance):

• Small molecules are used to modulate biochemical pathways transiently, enabling temporal control versus genetic perturbations. They support target validation, pathway mapping, and mechanism-of-action studies when paired with orthogonal assays and chemoproteomic methods.
• Interference risks: Some scaffolds exhibit assay interference (e.g., fluorescence quenching, redox cycling, metal chelation, detergent-like aggregation). Employ counter-screens (e.g., detergent sensitivity tests, redox quenchers) to distinguish on-target effects from artifacts.
• ADME-relevant properties (if later needed): permeability, metabolic stability, and protein binding can confound cellular readouts. Pilot studies (Caco-2/MDCK, microsomes, plasma protein binding) help contextualize observed biology.

Good practices:

• Use appropriate negative/vehicle controls and, where possible, structurally unrelated positives against the same pathway.
• Document the exact lot, concentration, exposure time, and vehicle composition for reproducibility.

Disclaimer:

• No claims are made here about therapeutic utility, clinical relevance, or specific biological roles for NXT629. This product is supplied strictly for research use only.

Buffer Applications

NXT629 is a discrete small organic compound and is not a buffering agent. Therefore, conventional buffer system guidance (e.g., phosphate, Tris, HEPES recipes and pH ranges) does not apply to this product.

Practical notes relevant to buffers when dosing small molecules (general guidance):

• When diluting DMSO stocks into assay buffers, add compound last with vigorous mixing to minimize localized supersaturation and precipitation.
• Maintain consistent vehicle content across all wells/samples (e.g., 0.1–1.0% DMSO) to avoid vehicle-driven effects on enzymatic rates or cell viability.
• Some compounds adsorb to plastics or proteins; adding 0.01–0.05% nonionic surfactant and 0.1% BSA can reduce nonspecific binding where compatible with the assay.

If you require a true buffer reagent, consult our dedicated buffering agents category.

Green Alternatives

As a discrete small-molecule research reagent (not a process solvent), NXT629 itself is not subject to classic green solvent substitution. Sustainability considerations focus on solution preparation and assay execution.

Greener practices (general guidance):

• Prefer lower-toxicity diluents: If solubility allows, ethanol or water-based vehicles with minimal DMSO (≤0.5–1% v/v) reduce environmental and occupational burdens compared with high-boiling amide solvents (DMF/NMP).
• Minimize solvent volumes: Use concentrated DMSO stocks and dispense microliter quantities via acoustic or low-dead-volume pipetting to cut waste.
• Plate format optimization: High-density formats (384/1536-well) reduce per-test solvent and compound consumption.
• Waste segregation: Collect DMSO/organic solutions separately for appropriate disposal; avoid mixing halogenated with non-halogenated waste streams.

Illustrative comparison (general; not product-specific):

• DMSO vs DMF/NMP: DMSO offers broad solubility and lower worker exposure concerns; DMF/NMP have reproductive toxicity classifications—use only if essential.
• Aqueous cyclodextrin carriers vs neat organic cosolvent: Cyclodextrins can enable water-based delivery at low additive levels, reducing VOCs.

Trade-offs:

• Lower-toxicity solvents may reduce solubility or alter assay performance. Validate signal windows and control compounds when changing vehicle.

For synthesis or scale-up work involving NXT629 (if applicable), consult green chemistry solvent guides (e.g., CHEM21, GSK, ACS GCI) to choose greener reaction media where feasible.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation specification is provided for NXT629 in this listing. The product is sold for research use only and is not intended for human or veterinary use.

General formulation context for research compounds (non-clinical; general guidance):

• Preclinical discovery workflows may prepare dosing solutions/suspensions for in vitro or exploratory ex vivo experiments. Common vehicles include aqueous buffers with minimal organic cosolvent (e.g., ≤5% DMSO/PEG400/ethanol mixtures) and surfactants to enhance wetting.
• For stability screens, assess solution stability across pH 2–9, oxidative stress (H2O2), light exposure, and freeze–thaw cycles to inform handling.
• Salt formation can improve solubility for ionizable compounds; confirm salt form and stoichiometry on the CoA before calculating molar concentrations.

Compliance note:

• This product is not accompanied by GMP documentation and is not suitable for API manufacture, clinical formulation, or diagnostic applications.
• For any regulated use, obtain appropriate grade materials and documentation according to your quality system.

Physical Properties

Item-specific physicochemical specifications have not been provided for this listing.

• 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: Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point: Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• pKa(s): Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• Aqueous solubility: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for small-molecule library compounds (literature/general):

• Solubility screening typically starts with an anhydrous DMSO stock (e.g., 10–50 mM), optionally followed by dilution into assay buffer containing co-solvent (0.1–1% DMSO) and surfactant (e.g., 0.01–0.05% Tween-20 or 0.01% Pluronic) to mitigate aggregation.
• If the compound is neutral and lipophilic, expect limited aqueous solubility; consider cosolvents (MeOH, EtOH, acetonitrile) or cyclodextrin carriers. For basic or acidic scaffolds, pH adjustment near ionization can markedly improve solubility.
• Evaluate light/air/moisture sensitivity empirically on a small aliquot before bulk handling. Many HTS compounds are stable as solids at low temperature but may degrade in solution over weeks at room temperature.

Always treat the values on the CoA/Spec Sheet as definitive for this item. Literature or computed values for similarly named structures should not be used as specifications.

Quality and Grades

Grade/purity and stabilizer details are not specified for this item in the current catalog entry.

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Stabilizers/Counterions: Not specified for this item; refer to CoA/Spec Sheet.

How to interpret grades (general guidance):

• Library/Screening grade compounds are commonly supplied at high chemical purity (often ≥95% by HPLC/LC-MS), optimized for screening fidelity rather than trace-metal or spectroscopic baselines.
• Analytical or HPLC grade refers to solvents/reagents with very low UV background; this is less applicable to discrete small molecules.

Quality verification practices (recommended):

• Confirm identity and purity by LC–MS and/or 1H NMR on receipt, especially for screening collections. Record retention times and mass accuracy against internal standards.
• If the item is supplied as a salt form or solvate, confirm counterion/stoichiometry on the CoA and adjust molarity when preparing stock solutions.
• Low-level impurities can confound biological assays; consider orthogonal purity checks (HPLC-UV vs. ELSD vs. CAD) and light-scattering screens for aggregation.

Documentation:

• Treat the CoA/Spec Sheet as definitive for assay-grade purity, salt form, residual solvents, and water content (if provided). If your protocol requires specific impurity thresholds (e.g., metal content, residual solvents), contact us for lot-specific documentation before use.

Reaction and Applications

This product is positioned as a research small-molecule/compound-library member (Category: 全部 / 可售 / 小分子和化合物库). No specific synthetic or application annotation is provided for NXT629 in this listing.

Typical uses for library compounds (general guidance):

• Assay development and pilot screening: Evaluate methodological robustness (Z′, S/B) and assess detection dynamic range using a chemically diverse reference compound.
• Target deconvolution workflows: If orthogonal assays or chemoproteomic pull-downs are planned, verify identity/purity and maintain strict lot traceability.
• Structure–activity relationship (SAR) seed: Use as a starting point for analog scouting if structure becomes available; register and annotate bioactivity data internally.

Practical tips:

• Prepare high-quality DMSO stocks (10–20 mM recommended starting point) using dry solvent and low-binding plasticware; aliquot to single-use to avoid freeze–thaw degradation.
• Check for colloidal aggregation (literature tool compounds can aggregate at micromolar levels). Add low nonionic surfactant or increase ionic strength to diagnose artifacts.
• Run orthogonal readouts (e.g., fluorescence vs absorbance vs label-free) to detect assay interference (inner filter effects, redox cycling, metal chelation, or PAINS-like behaviors).

Note:

• Without item-specific target or mechanistic data, this listing makes no claims regarding biochemical selectivity, potency, or mode of action for NXT629. Consult the CoA/Spec Sheet or primary references associated with your project for any target-related assertions.

Reaction Conditions

Reaction condition guidance is not applicable because NXT629 is supplied as a discrete research compound and no synthetic transformations are specified for this item.

If you intend to derivatize or incorporate NXT629 into synthetic sequences (general guidance):

• First obtain definitive structural information (SMILES/InChI, functional group map) from the CoA/Spec Sheet.
• Optimize conditions on milligram scale and monitor by LC–MS. Screen mild conditions first to preserve potentially sensitive motifs (avoid strong base/nucleophiles and high temperatures until stability is known).
• For purification, begin with reverse-phase HPLC scouting gradients (e.g., water–acetonitrile with 0.1% formic acid or ammonium bicarbonate, depending on ionization) and confirm identity by HRMS and NMR.

Expected yields, catalysts, and temperatures are inherently structure-dependent and cannot be prescribed without the compound’s functional group profile.

Safety and Handling

Safety information specific to NXT629 is not provided in this listing and may vary by lot. Always consult the Safety Data Sheet (SDS) for authoritative information.

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / Hazard statements / Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions for small organic research compounds (general guidance):

• Personal protective equipment: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Work in a fume hood to avoid inhalation of dust or solvent vapors.
• Avoid contact with skin, eyes, and clothing. Prevent aerosolization. Do not ingest or inhale. Wash thoroughly after handling.
• Storage incompatibilities: Keep away from strong oxidizers and acids/bases unless stability is known. Avoid prolonged exposure to light and air for compounds with potential chromophores or redox-active groups.
• Spill/accident: Collect solids with minimal dust generation; absorb solutions with inert material. Dispose of waste according to institutional and regulatory requirements.
• First aid (overview): If on skin/eyes, rinse with water for at least 15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If swallowed, rinse mouth; do not induce vomiting; seek medical evaluation. Provide SDS to medical personnel.

Special notes:

• Research use only. Not for human or animal consumption, diagnostic, or therapeutic use.
• Prior to scaling any operation (e.g., large solution prep), pilot test for exotherms, off-gassing, or unexpected reactivity consistent with your solvent system.

Solvent Selection

Item-specific solubility and polarity data are not provided in this listing. The following guidance reflects common practice for small-molecule library members.

Primary diluent for screening stocks (general guidance):

• Anhydrous DMSO is the default solvent due to broad solubilizing power and assay compatibility at low percentages. Typical master stocks: 10–50 mM. Filter or centrifuge to remove particulates.

Secondary/co-solvents and vehicles:

• If DMSO solubility is limited, trial: DMF, NMP, or mixtures with acetonitrile, ethanol, or methanol. For aqueous delivery, gradual dilution into buffer with 0.1–1.0% DMSO and gentle mixing can prevent precipitation.
• For especially hydrophobic compounds, consider solubilizers such as 2-hydroxypropyl-β-cyclodextrin or low levels of nonionic surfactants (e.g., 0.01% Tween-20).

Miscibility and compatibility considerations:

• Verify compatibility with plasticware: DMSO and DMF can extractizers from some plastics; prefer glass vials and PP plates/tubes certified for solvent use.
• Avoid high-temperature dissolution unless thermal stability is confirmed. Sonication and warming to 30–40°C can aid dissolution without excessive degradation risk.

When to choose alternatives:

• For biochemical assays sensitive to DMSO, acetonitrile or ethanol can be used at ≤1–2% v/v if compound solubility permits. For cell-based work, keep total organic cosolvent ≤0.5–1% v/v to minimize cytotoxic vehicle effects.

Always confirm the final solution is clear and stable over the assay timeframe; if precipitation occurs on dilution, re-optimize solvent composition or concentration.

Storage and Reconstitution

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

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

General best practices for small-molecule solids and DMSO stocks (research use only):

• Upon receipt: Keep frozen (-80°C) until use. Allow the shipping container to equilibrate to room temperature in a desiccator before opening to prevent condensation on cold vials.
• Solid storage: If supplied as a solid, store tightly sealed, protected from light and moisture, at -80°C. Consider using an inert atmosphere (desiccant or argon-filled vial) if the compound is air/moisture sensitive (unknown for this item).
• Solution storage: Prepare concentrated stock in anhydrous DMSO (e.g., 10–50 mM) under dry conditions. Aliquot into single-use portions, cap tightly, and store at -80°C. Avoid repeated freeze–thaw; thaw on ice and use immediately.
• Stability: Item-specific stability, hygroscopicity, and light sensitivity are Not specified for this item; refer to CoA/Spec Sheet. As a precaution, protect from light and minimize time at room temperature.
• Documentation: Record lot number, preparation date, solvent, and concentration on each aliquot. Verify concentration by UV or LC–MS if critical to quantitative studies.

Note: For research use only. No clinical or diagnostic use is intended or implied.

Structure and Identity

Brief overview: NXT629 (SKU: N656607) is listed in our small-molecule/compound library category. Item-specific structural identifiers beyond CAS and PubChem CID are not supplied in this listing.

• CAS: 1454925-59-7 (catalog identifier)
• PubChem CID: 71721539 (catalog cross-reference)
• 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 description (general guidance):

• Functional groups, ring systems, stereochemistry, and heteroatom content are not provided in the product data for NXT629. If your workflow requires detailed structural annotation (e.g., for cheminformatics registration, docking, or predictive ADME modeling), please request the current CoA/Spec Sheet.

Notes on identity and traceability:

• For rigorous data capture, we recommend recording: CAS, CID, supplier lot number, and any project-specific internal registration ID.
• If you will use NXT629 in HTS/HCS, include an internal barcode linking to the exact lot/aliquot, and retain the shipping documentation (includes storage and chain-of-custody details).

General cheminformatics pointers (literature/general):

• With the SMILES or InChI, you can compute calculated properties (cLogP, TPSA, rotatable bonds) and flags (PAINS, Brenk alerts) using standard toolkits (RDKit, OpenEye). Absent these strings in this listing, consult the CoA/Spec Sheet to avoid mis-annotation.

Synthetic Utility

This catalog entry positions NXT629 as a finished small-molecule library member rather than a synthetic building block. No functional-group annotations or reactivity data are provided for use as a precursor or intermediate.

General considerations if employing as a synthetic reference or handle (general guidance):

• Without a disclosed structure (SMILES/InChI), retrosynthetic planning is not feasible from this listing. If your program contemplates analog synthesis, please request the structural data (CoA/Spec Sheet) or consult your internal registration system.
• If the compound contains labile moieties (e.g., aryl halides, nitriles, sulfonyl groups—unknown here), it may participate in cross-couplings, nucleophilic substitutions, or condensations. Confirm features by analytical characterization before attempting derivatization.
• For analytical tracking during synthesis, establish robust LC–MS and NMR conditions using the parent compound as a reference.

Bottom line:

• No item-specific synthetic transformations are claimed for NXT629 in this listing. Treat it as a reference standard or screening entity unless structural information indicates practical derivatization opportunities.

Target Specificity

No target, pathway, or selectivity information is provided for NXT629 in this listing.

• Target/mechanism: Not specified for this item; refer to CoA/Spec Sheet or internal project data.
• Species selectivity or off-target panel data: Not specified for this item; refer to CoA/Spec Sheet.

Guidance for users (general):

• If employing NXT629 as a probe, corroborate activity with orthogonal assays and inactive/structurally distinct controls. Profile against a broad counter-screen panel to detect assay interference or promiscuity where relevant to your field (e.g., kinases, GPCRs, proteases).
• Register all activity data with exact lot identifiers to ensure traceability and reproducibility.

Preguntas frecuentes

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

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 1454925-59-7, the molecular formula is C35H39N5O3S, and the molecular weight is 609.78 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.