Nexturastat A - Moligand™, ≥98% , Inhibitor of histone deacetylase 1;Inhibitor of histone deacetylase 6, CAS No.1403783-31-2, Inhibitor of histone deacetylase 1;Inhibitor of histone deacetylase 6
Nexturastat A - Moligand™, ≥98% , Inhibitor of histone deacetylase 1;Inhibitor of histone deacetylase 6, CAS No.1403783-31-2, Inhibitor of histone deacetylase 1;Inhibitor of histone deacetylase 6
GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.≥98%
Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Visão geral
Product Describtion: Nexturastat A is a highly potent and selective inhibitor of histone deacetylase 6 (HDAC6) with IC50 value of 5 nM.
Product Application：
In B16 murine melanoma cells, Nexturastat A dose-dependently elevated acetyl α-tubulin levels without increasing histone H3 acetylation. Moreover, Nexturastat A potently inhibited the growth of B16 melanoma cells, with the GI50 value of 14.3 μM.
This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
insoluble in H2O; ≥16.3 mg/mL in DMSO; ≥9.3 mg/mL in EtOH
Peso molecular
341.400 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
7
Exact Mass
341.174 Da
Monoisotopic Mass
341.174 Da
Topological Polar Surface Area
81.700 Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
416.000
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
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Revisões
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Application Protocols
Only information from product data may be listed here.
Tested applications, recommended dilutions, and positive controls: Not specified for this item.
Guidance
Please refer to the product’s CoA/Specification Sheet and your laboratory’s validated protocols. Literature methods for HDAC activity assays and tubulin acetylation readouts can serve as starting points, but they are not part of the item’s validated specifications.
Biological Roles
Contextual, literature-based description (no medical or clinical claims)
Molecular pharmacology
Nexturastat A is reported in the literature as a selective inhibitor of histone deacetylase 6 (HDAC6), a cytosolic deacetylase that targets non-histone proteins including α-tubulin, cortactin, and HSP90. The scaffold typically employs a hydroxamate zinc-binding group to chelate the catalytic Zn2+ within the HDAC active site.
Cellular pathways impacted (literature/general)
Microtubule dynamics: Inhibition of HDAC6 increases acetylated α-tubulin, influencing intracellular transport and cell morphology.
Protein quality control: HDAC6 participates in aggresome formation and autophagic clearance; chemical inhibition is used to probe these pathways.
Serves as a chemical biology tool to dissect isoform-selective HDAC6 functions compared to nuclear HDACs (e.g., HDAC1/2/3). Selectivity profiles should be verified under laboratory-specific conditions.
Notes
Specific target-binding constants, cellular EC50/IC50 values, and selectivity ratios are method-dependent and should be taken from primary literature or determined de novo in your assay system. These are not item specifications.
Buffer Applications
This compound is not a buffering agent. However, appropriate buffer systems are essential for its use in biochemical assays.
General assay buffer considerations (literature/guidance; not item specifications)
HDAC activity assays commonly utilize near-neutral buffers (e.g., 25–50 mM HEPES or Tris, pH 7.4–8.0) with 100–150 mM NaCl, 0.01–0.05% Tween-20 to reduce nonspecific binding, and 1 mM TCEP or DTT if reductive stability of the enzyme requires it.
Maintain a constant final DMSO percentage (typically ≤0.1–1%) across all wells/tubes.
Include BSA (0.1–0.5 mg/mL) if adsorption to plasticware is observed.
Cell-based work (general)
Prepare DMSO stocks and dilute into serum-containing media; keep final DMSO low (≤0.1–0.2%) to minimize solvent effects.
Item-specific buffer recipes and compatibilities: Not specified for this item; refer to CoA/Spec Sheet and primary assay protocol references.
Green Alternatives
Not typically applicable. This product is a bioactive small-molecule probe rather than a solvent or bulk reagent where greener process alternatives are normally evaluated.
Pragmatic guidance (general)
Minimize DMSO volume and waste by preparing higher-concentration stocks and aliquoting to reduce disposal.
Where feasible, implement microscale assays and high-throughput formats to lower solvent consumption.
Follow institutional waste-segregation protocols for halogenated vs non-halogenated organics and aqueous/biological waste.
For greener choices in synthetic workflows or extractions, consult solvent replacement guides (e.g., preferring water, ethanol, 2-MeTHF, or CPME depending on application). These considerations are peripheral to this compound’s primary use as a screening probe.
Pharmaceutical Uses
No therapeutic or clinical use is claimed or supported for this catalog item. For research use only.
Reference standard: Can serve as an internal control or benchmark inhibitor in discovery screening and mechanistic studies of HDAC6.
Formulation studies (in vitro only): Solubility and stability screening in assorted excipients/solvents to support analytical method development or delivery system research.
Analytical development: Use as a positive control in LC/UV or LC–MS method qualification when monitoring HDAC6 inhibitor panels (ensure appropriate response factors are established).
Pharmacopeial status, impurity thresholds, and clinical-quality specifications: Not specified for this item; refer to CoA/Spec Sheet. This product is not manufactured under GMP and is not intended for human or veterinary administration.
Physical Properties
Item-specific specs
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Weight (exact): Not specified for this item; refer to CoA/Spec Sheet.
Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
Literature/general expectations for small-molecule HDAC inhibitors of this class (guidance; not product specifications)
Physical state: Typically isolated as an off-white to light-colored crystalline solid or amorphous solid (literature/generic).
Solubility profile: Readily soluble in polar aprotic solvents such as DMSO and DMF; limited aqueous solubility unless co-solvent or surfactant is used (literature/generic).
Aqueous handling: Stock solutions are commonly prepared at 10–50 mM in anhydrous DMSO and diluted into assay buffer with ≤0.1–1% final DMSO to maintain solubility (literature/generic).
Partitioning: Hydroxamate-bearing inhibitors often display moderate lipophilicity balanced by H-bond donors/acceptors; logP/logD is highly scaffold-dependent (literature/generic).
pKa: Hydroxamic acids exhibit characteristic acidity (pKa often in the ~8–9 range for the hydroxamate N–OH; varies with substitution). These are general values from literature and not item specifications.
Melting point, boiling point, refractive index, density, UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
Practical notes (general)
For spectroscopic quantitation, determine the compound’s extinction coefficient empirically in the chosen solvent system.
Filter or centrifuge diluted working solutions if any visible particulates form upon aqueous dilution (common with hydrophobic inhibitors).
Moligand™ denotes inclusion in a small-molecule/compound library suitable for biochemical and cellular screening applications.
Typical expectations for library-grade reference compounds include verified identity (e.g., by NMR/HRMS/LC-MS) and assay-compatible purity; however, exact analytical methods and purity thresholds can vary by item and lot.
Item-specific quality metrics
Purity, residual solvents, water content, metal content, and UV profile: Not specified for this item; refer to CoA/Spec Sheet for lot-resolved data and analytical methods.
Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet.
Implications for use
Moligand™ compounds are intended for hit validation, target engagement studies, and assay development where consistent quality and identity are critical.
For quantitative biology (e.g., accurate IC50/Ki determination), verify purity by an orthogonal method and record the exact solvent system to reduce variability.
Documentation
Request the current Certificate of Analysis (CoA) and Specification Sheet for this SKU (N349054) to obtain lot-specific purity, analytical traces, and recommended handling particulars.
Compliance note
This product is supplied strictly for research use only and not for diagnostic or therapeutic applications.
Reaction and Applications
This product is not typically used as a synthetic reagent or solvent. Instead, it is employed as a research probe in biochemical and cellular studies.
Applicable research uses (literature/general)
Target engagement: Widely referenced as a selective HDAC-class probe in enzymology and chemical biology to explore deacetylase function, especially cytosolic HDAC6 (literature).
Phenotypic assays: Used to monitor tubulin acetylation and aggresome/autophagy pathways downstream of HDAC6 modulation (literature).
Assay development: Serves as a positive control or reference modulator in fluorescence- or luminescence-based HDAC activity assays.
Practical considerations (general)
Prepare concentrated DMSO stocks and minimize freeze–thaw cycles.
Include solvent-matched vehicle controls.
Confirm selectivity and potency under your assay conditions; parameters can shift with enzyme source, substrate, and buffer composition.
If you require a reagent for chemical synthesis or a reaction medium, consider relevant sections for solvents or building blocks; this item is best leveraged in the Biological Roles and Application-focused contexts.
Reaction Conditions
Not typically applicable as a reagent in chemical synthesis. However, for its primary use as a biochemical tool, the following general, literature-informed conditions are common for HDAC enzyme or cell-based assays (not product specifications):
Enzymatic assays
Buffer: 25–50 mM HEPES or Tris, pH 7.4–8.0; 100–150 mM NaCl; optional 0.01–0.05% Tween-20.
Temperature: 25–37°C depending on enzyme source and substrate turnover rates.
Solvent: DMSO stocks diluted to ≤0.1–1% final concentration.
Incubation: 15–60 min for end-point assays; longer for kinetic reads as needed.
Cell-based studies
Dosing: Prepare serial dilutions in medium; maintain constant DMSO (often ≤0.1–0.2%).
Exposure: 2–24 h typical for acetylated tubulin readouts; verify time courses empirically.
Expected outcomes (general)
Increased α-tubulin acetylation upon HDAC6 inhibition can be detected by Western blot or IF using acetyl-α-tubulin antibodies (verify with positive/negative controls).
For precise reaction/assay conditions, consult primary literature and optimize for your specific enzyme source, cell line, and detection modality.
Safety and Handling
Safety summary for research use only; always consult the SDS for authoritative guidance.
GHS classification, signal word, and hazard statements: Not specified for this item; refer to SDS.
Likely hazards (general for small organic inhibitors)
May cause skin/eye irritation and respiratory irritation if dust or aerosols are generated.
Avoid ingestion, inhalation, and prolonged or repeated contact.
Recommended PPE and engineering controls
Wear lab coat, safety glasses, and appropriate chemical-resistant gloves.
Handle powders/solid aliquoting in a fume hood or ventilated enclosure to minimize dust exposure.
Storage and stability (item-specific + general)
Store at −20°C (Product Data). Keep container tightly closed and protected from light and moisture.
Shipments are supplied cold (ice chest + ice pads) to maintain material integrity.
Incompatibilities (general)
Avoid strong oxidizing agents and strong acids/bases that may degrade hydroxamate or amide linkages.
Protect from prolonged exposure to heat and humidity.
First-aid overview (general)
Skin/eye contact: Rinse with copious water for at least 15 minutes; remove contaminated clothing.
Inhalation: Move to fresh air; seek medical attention if symptoms persist.
Ingestion: Rinse mouth; seek medical attention.
Note: This compound is for research use only and not for human or veterinary use. Defer to the product SDS for all hazard classification and emergency procedures.
Solvent Selection
Selection guidance for preparing stocks and working solutions of a hydrophobic small-molecule inhibitor (general/literature-informed; not item specifications):
Primary solvent for stocks
DMSO (anhydrous) is the standard choice due to high solubility and biological compatibility at low final percentages (≤0.1–1% v/v in assays).
DMF can be used for intermediate stocks; however, DMSO is generally preferred for bioassays.
Aqueous dilution strategy
Prepare concentrated DMSO stock (e.g., 10–50 mM) and dilute into assay buffer with vigorous mixing to avoid local supersaturation.
Maintain constant final DMSO across control and treated wells/tubes to avoid solvent artifacts.
Co-solvent and surfactant aids (if needed)
Small fractions of ethanol or PEG-400 and nonionic surfactants (e.g., 0.01–0.05% Tween-20) can help maintain solubility in certain biochemical or cell-based assays (evaluate compatibility).
Buffer compatibility (general)
Common HDAC assay buffers are near-neutral pH (e.g., Tris/HEPES ~pH 7.4–8). Avoid strong acids/bases that may hydrolyze hydroxamates.
Quick comparison (general)
DMSO: highest solvating power; best for screening stocks.
Ethanol: miscible with water; lower solvating power; limit final % to minimize cytotoxicity.
Aqueous only: often insufficient due to hydrophobicity; may cause precipitation on dilution.
Note: Determine precise solubility and stability empirically for your system and consult the CoA for any item-specific solvent notes.
Storage and Reconstitution
Item-specific storage and shipping
Storage Conditions: Store at −20°C (Product Data).
Shipped In: Ice chest + Ice pads (Product Data).
Reconstitution (general best practices; not item specifications)
Solvent: Prepare concentrated stock solutions in anhydrous DMSO (e.g., 10–50 mM). The exact solubility for this item is not specified; determine empirically.
Aliquoting: Divide stocks into single-use aliquots to avoid repeated freeze–thaw cycles.
Handling: Allow frozen aliquots to equilibrate to room temperature before opening to minimize moisture condensation.
Dilution: Add DMSO stock to buffer or culture medium with vigorous mixing to avoid precipitation; maintain uniform final DMSO across controls and treatments.
Stability notes
Protect from light and moisture. Keep tightly sealed under inert atmosphere if long-term storage is anticipated (general recommendation for moisture-sensitive hydroxamates).
Product-specific shelf life and stability data: Not specified for this item; refer to CoA/Spec Sheet.
For research use only. Always consult the SDS and CoA for authoritative handling and stability information.
Structure and Identity
Brief overview: Nexturastat A is a small-molecule research compound included in Aladdin’s Moligand screening library category and is widely referenced in the literature as a selective histone deacetylase (HDAC) probe.
Item-specific identifiers (Product Data)
SKU: N349054
Product Name: Nexturastat A
CAS: 1403783-31-2
PubChem CID: 71462653
InChIKey: 174575 (as provided)
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 (literature/general description)
Reported in the literature as an HDAC6-selective inhibitor built on the canonical “cap–linker–zinc-binding group” pharmacophore common to hydroxamate-class HDAC ligands.
Typical features described include: an aromatic “cap” region, a heteroatom-containing linker, and a terminal hydroxamic acid that chelates the catalytic Zn2+ in HDAC active sites (literature).
2D structure description (literature/general)
Planar/aromatic cap ring system connected through a short amide/alkyl/heteroatom linker to a hydroxamic acid terminus; the hydroxamate O,O-chelating group is oriented to engage Zn2+ within the enzyme pocket. Stereochemistry is generally not central to the reported scaffold (literature).
Note: For definitive structure representation (SMILES/InChI) and exact composition for this specific lot, consult the item’s CoA/Specification Sheet.
Synthetic Utility
This product is supplied as a finished small-molecule probe and is not typically used as a building block in multistep synthesis in routine practice.
General chemical features (literature/generic)
Functional groups commonly present in HDAC6 inhibitors of this class include a hydroxamic acid (metal-chelating), amide/urea or ether linkers, and aromatic cap motifs. Hydroxamates can be sensitive to strong acidic or basic hydrolysis and to certain coupling or oxidation conditions.
Protection/deprotection: Hydroxamic acids are less commonly used as synthetic handles; if derivatization is required, convert to suitable protected intermediates or prepare analogs upstream.
If your goal is to synthesize analogs or SAR series, consider acquiring starting materials and reagents specific to your designed scaffold; this particular SKU is better deployed as a biological tool compound rather than a synthetic intermediate.
Target Specificity
Only information from product data may be listed here.
Target/antigen, epitope, species reactivity, clone/isotype: Not specified for this item in the Product Data.
Note: Although Nexturastat A is widely discussed in the literature as an HDAC6-selective inhibitor, no target specificity data are provided within this catalog entry. Users should consult primary literature or generate in-house profiling data for their application.
Need help choosing the grade?
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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