Nanatinostat - 10mM in DMSO , CAS No.1256448-47-1

CAS: 1256448-47-1 Cat. No.: N656687 Fórmula: C₂₀H₁₉FN₆O₂ Peso molecular: 394.40 PubChem CID: 49857317

CALIDAD & PUREZA 10mM in DMSO

Storage

Argon charged,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Nanatinostat (CHR-3996) is a potent, class I selective and orally active histone deacetylase (HDAC) inhibitor with an IC 50 of 8 nM

IC50& Target:IC50：8 nM ( HDAC)

Especificaciones

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Nanatinostat (CHR-3996) is a potent, class I selective and orally active histone deacetylase (HDAC) inhibitor with an IC 50 of 8 nM.

Condiciones de almacenamiento de almacenamiento

Argon charged,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

INHIBITOR

Nombres e identificadores

Isómeros SMILES

C1[C@@H]2[C@@H](C2NCC3=NC4=C(C=C3)C=C(C=C4)F)CN1C5=NC=C(C=N5)C(=O)NO

CAS alternativo

1256448-47-1

PubChem CID

49857317

Términos de entrada MeSH

2-(6-(((6-fluoroquinolin-2-yl)methyl)amino)bicyclo(3.1.0)hex-3-yl)-N-hydroxypyrimidine-5-carboxamide;CHR 3996;CHR-3996;CHR3996

Peso molecular

394.40

Objetivos asociados (humanos)

HDAC6 Tclin Histone deacetylase 6 (0 Activities)

Discover Target: HDAC6

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

HDAC1 Tclin Histone deacetylase 1 (0 Activities)

Discover Target: HDAC1

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

HDAC2 Tclin Histone deacetylase 2 (0 Activities)

Discover Target: HDAC2

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

HDAC5 Tclin Histone deacetylase 5 (0 Activities)

Discover Target: HDAC5

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

HDAC3 Tclin Histone deacetylase 3 (0 Activities)

Discover Target: HDAC3

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

Application Protocols

Tested applications, recommended dilutions/concentrations, and positive controls are not provided for this item and should be determined empirically for each assay.

General, non-item-specific guidance for deploying small-molecule tool compounds in epigenetics research:

• Stock preparation: Dissolve in anhydrous DMSO to prepare a concentrated master stock. Filter if needed using a PTFE 0.22 μm syringe filter.
• Aliquoting: Prepare single-use aliquots to avoid freeze–thaw; label with lot, concentration, and preparation date.
• Dose–response: Establish a concentration range spanning at least 6–8 points over 2–3 orders of magnitude. Include vehicle-only controls to account for DMSO effects.
• Exposure: Optimize incubation time based on readout (e.g., 4–24 h for histone acetylation changes in cells); confirm cytotoxicity separately (e.g., using ATP or resazurin assays) to distinguish on-target from nonspecific effects.
• Readouts: Use orthogonal methods—immunoblotting for acetyl-lysine marks, HDAC enzymatic assays, and transcriptomics/ChIP/ATAC as appropriate.

Important: The above are generic practices. For validated, item-specific protocols (WB, IF, enzymatic IC50 formats, or in vivo dosing regimens), refer to the primary literature and your internal SOPs.

Biological Roles

Literature context (research-use only; no medical claims):

• Nanatinostat is described in the scientific literature as a small-molecule histone deacetylase (HDAC) inhibitor used to study epigenetic regulation. HDACs remove acetyl groups from lysine residues on histone and non-histone proteins, compacting chromatin and repressing transcription. Inhibiting HDAC activity generally increases acetylation levels, alters chromatin accessibility, and modulates gene expression programs.

Research applications commonly explored with HDAC inhibitors include:

• Epigenetic mechanism studies: Tracking histone acetylation (e.g., H3K9ac, H3K27ac) by Western blot/ChIP following compound exposure.
• Synthetic lethality and pathway mapping: Interactions with DNA damage response, apoptosis pathways, and viral gene expression programs have been investigated broadly with HDAC inhibitors. Consult primary literature specific to nanatinostat for target class selectivity and cell-type context.
• Chemical biology: Use as a probe to evaluate HDAC-dependent phenotypes, transcriptional signatures (RNA-seq), and chromatin state changes (ATAC-seq).

Practical experimental notes (general):

• Prepare concentrated DMSO stocks; pre-validate working concentrations by dose–response in the relevant cell line or enzyme system to avoid off-target effects from vehicle or excessive exposure time.
• Confirm intracellular target engagement and global acetylation changes with orthogonal assays (activity-based assays, immunoblotting for acetyl-lysine marks, or HDAC biochemical assays).

Important: Target preferences, potency, and selectivity for nanatinostat should be sourced from the primary literature or the item’s CoA/Spec Sheet; these details are not specified in this listing.

Buffer Applications

This compound is not a buffering agent and is not typically used to prepare pH buffer systems.

• For biochemical assays involving nanatinostat, select buffers appropriate to your target (e.g., Tris, HEPES, or phosphate) and ensure compatibility with DMSO vehicle at the intended final concentration. Validate that the buffer composition does not precipitate the compound upon dilution.
• Refer to your assay’s established buffer systems and optimization parameters (pH, ionic strength, cofactors) as this listing provides no item-specific buffer guidance.

Green Alternatives

Green chemistry considerations are generally framed for solvents and commodity reagents. As a specialized bioactive small molecule used at micro- to milligram scales in discovery research, nanatinostat does not have a practical “green alternative” in the usual sense.

• Application context: It serves as a specific research tool; substitution would change the biological profile and is not interchangeable on a green-chemistry basis.

What you can optimize instead (general guidance):

• Formulation solvents: Prefer greener solvents (e.g., ethanol, water-based vehicles with cyclodextrins) when compatible with your assay or model, instead of higher-toxicity solvents (e.g., DMF, NMP). DMSO remains common but manage volumes to the minimum required.
• Waste minimization: Prepare the smallest feasible stock volumes; aliquot to reduce freeze–thaw cycles and discard less material.
• Energy footprint: Plan experiments to limit repeated freeze–thaw and overnight equipment use. Use chilled blocks rather than continuous-ice baths when appropriate.
• Safer work-up: For any synthetic derivatization around this scaffold, consider solvent guides (e.g., CHEM21, ACS GCI) to choose lower-impact media like 2-MeTHF or water/ethanol mixtures where chemically feasible.

Tradeoffs:

• More benign vehicles may reduce solubility or compound stability; always validate assay performance and compound integrity (LC–MS/HPLC) after switching vehicles or excipients.

Pharmaceutical Uses

Formulation and handling context for research and preclinical studies (general guidance; no therapeutic or clinical claims):

• Role: Nanatinostat is a research-use small molecule. For in vitro and exploratory in vivo work, it may be formulated as DMSO stock solutions, or in aqueous vehicles with co-solvents/surfactants if compatible with study requirements.

Common preclinical formulation approaches (general):

• In vitro: DMSO stock (e.g., 10–20 mM), diluted into cell culture media immediately before use to keep final DMSO low (≤0.1–0.5% v/v, assay-dependent).
• In vivo (rodent research): Co-solvent systems such as PEG400/ethanol/saline, 10–20% Captisol in water, or 0.5% methylcellulose with a small percentage of Tween-80 are frequently explored for poorly water-soluble compounds. Optimize osmolality, pH, and tolerability per IACUC/EHS guidance.
• Stability: Protect from light, oxygen, and moisture as indicated by the storage requirements; prepare single-use aliquots to minimize freeze–thaw.

Regulatory/compendial status:

• No pharmacopeial monograph or excipient designation is provided for this item. It is supplied strictly for research use only.

Documentation:

• For GLP-like studies, retain lot-specific CoA and analytical data (purity profile, identity confirmation) and qualify the formulation (concentration by HPLC/UV, stability over intended dosing window).

Physical Properties

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

• 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 / decomposition: Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable for typical solid compounds; if needed, refer to CoA/Spec Sheet.
• LogP, pKa: Not specified for this item; consult primary literature.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.

General/literature context (not product specifications):

• Small-molecule HDAC inhibitors are frequently handled as solids and prepared as concentrated DMSO stocks (e.g., 10–20 mM) for biochemical or cellular assays. Actual solubility, stability, and extinction coefficients must be verified for nanatinostat specifically from the CoA/Spec Sheet or original publication.

Practical note:

• Given the provided storage guidance (argon charged, −80°C), the compound should be considered moisture/oxygen/light sensitive until proven otherwise. Thaw minimally, keep sealed under inert atmosphere, and minimize time at ambient conditions to reduce potential degradation.

Quality and Grades

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

Interpretation and context:

• Research-use small molecules are typically qualified by identity (NMR/HRMS/LC–MS), purity (HPLC/UPLC area %), and, where applicable, water/volatile content (Karl Fischer/GC). In the absence of explicit numerical specifications here, please consult the CoA for the delivered lot to confirm methods and acceptance criteria.

What item data imply:

• Storage guidance “argon charged; store at −80°C; shipped on dry ice + cold packs” suggests attention to oxidative and/or thermal sensitivity. Such handling is commonly employed to preserve integrity of high-value screening compounds.

Recommendations for users:

• Request the lot-specific CoA and analytical package (chromatogram, NMR, MS) if you require defined thresholds (e.g., ≥98% HPLC area, residual solvent limits, metal content). Where UV-cutoff, specific absorbance, or photostability data are critical (e.g., for bioassays with optical readouts), verify on the CoA or by in-house qualification.
• If your application demands specialized grades (e.g., “cell culture tested,” endotoxin-screened), contact Technical Support to discuss feasibility, as such designations are not specified for this item.

Reaction and Applications

This product is a bioactive research compound and is not typically employed as a reagent or catalyst in synthetic organic reactions.

• Not commonly used in named reactions (e.g., cross-couplings, condensations) as a substrate, reagent, or ligand.
• Researchers generally deploy nanatinostat as a tool compound in biochemical or cellular studies of epigenetic regulation rather than as a synthetic building block.

If you intend to derivatize or conjugate the molecule for probe development:

• Obtain the exact structure and functional group map from the CoA/Spec Sheet or primary literature.
• Evaluate stability of the pharmacophore under coupling conditions (e.g., avoid strong acids/bases, high temperature) and confirm retention of activity post-modification via orthogonal assays.

For chemical biology applications:

• Consider linker strategies and bioorthogonal handles (e.g., azides/alkynes) introduced via a scaffold region that tolerates substitution (guided by SAR from the literature). Verify that modifications do not disrupt target engagement.

Summary: For reaction chemistry, select reagents better suited to your transformation needs; for nanatinostat, see the Biological Roles, Pharmaceutical Uses, and Storage tabs for the most relevant guidance.

Reaction Conditions

Not typically applicable. Nanatinostat is a bioactive small molecule supplied for research use, not a reagent for promoting or undergoing standard synthetic transformations.

If conducting chemical biology modifications (general advice only):

• Solvents: Anhydrous, oxygen-free organic solvents (e.g., DMF, DCM, or acetonitrile) under inert atmosphere can be used if the scaffold is compatible; confirm from literature.
• Temperatures: Favor ambient to moderately elevated temperatures (<40–50°C) unless stability is verified by analytical monitoring.
• Catalysts/reagents: Choose mild coupling systems (e.g., EDC/HOBt, HATU, or click chemistry catalysts for azide–alkyne cycloaddition) if functional groups permit.
• Workup/purification: Use flash chromatography with careful control of moisture and light; verify integrity by LC–MS and NMR.

For routine biological deployment, see Solvent Selection and Storage tabs for handling of stock solutions and vehicle preparation.

Safety and Handling

Safety designations specific to this item are not provided.

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

General laboratory precautions (good practice for potent bioactive small molecules):

• Engineering controls: Handle in a certified chemical fume hood or ventilated enclosure; consider containment for powder handling.
• PPE: Lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). For large-scale weighing or potential aerosolization, consider double-gloving and respiratory protection as per institutional EHS guidance.
• Avoid inhalation, ingestion, and skin contact. Use dedicated tools for weighing and transfer. Clean spills promptly with inert absorbent; avoid creating dust.
• Incompatibilities: Until characterized, avoid strong oxidizers, strong acids/bases, and prolonged exposure to air, moisture, and light. Maintain under inert gas as indicated.
• First aid (overview; defer to SDS): If inhaled—move to fresh air; if on skin—wash with soap and water; if in eyes—rinse cautiously with water for several minutes; if swallowed—rinse mouth and seek medical attention. Provide SDS to healthcare personnel.
• Waste disposal: Treat as hazardous organic waste; dispose per institutional and local regulations.

Always consult the item-specific Safety Data Sheet (SDS) supplied with the shipment for authoritative hazard information and response procedures.

Solvent Selection

Nanatinostat is supplied as a research-use small molecule without item-specific solubility data. The following guidance reflects common practices for bioactive screening compounds (general/literature context; not product specifications):

• Primary solvent for stocks: Anhydrous DMSO is typically preferred due to broad solvating power for aromatic/heteroaromatic small molecules and compatibility with biochemical/cell-based assays at low final % DMSO.
• Aqueous work: For assay-ready solutions, dilute DMSO stocks into buffered media immediately before use; maintain final DMSO typically ≤0.1–0.5% v/v to minimize vehicle effects (optimize per assay).
• Alternative co-solvents (if needed): DMF or ethanol can sometimes aid solubilization; PEG400, Captisol (sulfobutyl ether β-cyclodextrin), or Tween-80 may be employed in in vivo formulation research (verify compatibility with your protocol).
• Inert handling: Given the argon-charged storage, prepare solutions under inert atmosphere when feasible and avoid prolonged exposure to air/moisture.

Small comparison (general considerations):

• DMSO: strongest solvency; hygroscopic; ensure dryness.
• DMF: strong solvency; consider toxicity and assay interference.
• Ethanol: lower solvency for many heteroaromatics; better volatility profile.

Practical tips:

• Warm gently (ambient to 37°C) and vortex/sonicate to aid dissolution; avoid heating above 40°C unless stability is documented.
• Filter sterilize through 0.22 μm PTFE for cell-based work if required; pre-test adsorption losses.

Storage and Reconstitution

Item-specific conditions provided:

• Storage: Argon charged, store at −80°C.
• Shipping: Dry ice packs + cold packs.
• Research use only.

Practical handling recommendations (to preserve integrity):

• Upon receipt: Keep container sealed; allow to equilibrate to −20°C in a desiccated, inert environment before any opening to reduce condensation. Open under inert atmosphere if possible.
• Aliquoting: If solid, quickly apportion into small, inert-gas–flushed vials. If solution, prepare single-use aliquots in anhydrous DMSO. Minimize headspace by backfilling with argon or nitrogen.
• Light/moisture/air: Protect from light; keep tightly capped and under inert gas. Use desiccants in secondary containment.
• Freeze–thaw: Avoid repeated cycles. Thaw only what is immediately needed. Do not heat above ambient unless stability is documented.

Reconstitution (general guidance):

• Solvent: Use anhydrous DMSO for initial dissolution unless your protocol specifies otherwise. Gently vortex/sonicate to aid dissolution; confirm clarity and absence of particulates.
• Working solutions: Dilute DMSO stocks into pre-warmed assay buffer or media immediately prior to use; verify that no precipitation occurs upon dilution.

Documentation: Record lot number, preparation date, and storage history. For long-term projects, periodically re-qualify stock integrity by LC–MS/HPLC.

Note: Any unstated specifications (e.g., exact solubility, stability, extinction coefficients) are not provided and should be taken from the CoA/Spec Sheet.

Structure and Identity

Nanatinostat is a curated small-molecule entry in our compound library for epigenetics research.

• Product name: Nanatinostat (research grade compound)
• CAS: 1256448-47-1 (literature identifier)
• PubChem CID: 49857317 (literature identifier)
• 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.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

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

• Nanatinostat is described in the literature as a small-molecule histone deacetylase (HDAC) inhibitor used in epigenetics research. Reported scaffolds for selective HDAC inhibitors often include an aromatic “cap,” a linker, and a metal-binding motif that engages the catalytic Zn2+ in the HDAC active site; consult primary literature for the precise structure of nanatinostat.

2D description in words (general):

• Typical HDAC inhibitor pharmacophores comprise an aromatic headgroup connected by a spacer to a zinc-binding terminus; however, the exact ring pattern(s), substituent topology, and heteroatoms for nanatinostat should be confirmed from the CoA/Spec Sheet or original reference.

Note: Where exact identifiers (SMILES, InChIKey, MF, MW) are required for informatics or analytical methods, use the item’s CoA/Spec Sheet for authoritative values.

Synthetic Utility

Nanatinostat is a finished small-molecule research tool and is not commonly used as a synthetic building block.

• Without item-specific structural disclosure in this listing, proposing derivatization routes or protective-group strategies would be speculative.
• If chemical modification is desired for probe development (e.g., fluorescent tagging, biotinylation, photoaffinity labels), consult the primary literature for tolerated positions on the scaffold (SAR) and confirm that modifications do not disrupt HDAC-binding features.

General considerations for modifying HDAC inhibitors (literature context):

• Maintain the pharmacophore triad (surface recognition/cap, linker, and metal-binding motif if present) while introducing functional handles at solvent-exposed positions.
• Employ mild coupling conditions and avoid prolonged exposure to strong acids/bases or high temperatures that may degrade sensitive motifs.

Summary: For synthetic transformations, select dedicated reagents or monomers; treat nanatinostat as a bioactive endpoint compound unless you have structure-verified plans for chemical biology derivatization.

Target Specificity

Only item-specific data may be listed here.

• Molecular target(s), isoform selectivity, and Ki/IC50 values: Not specified for this item; refer to CoA/Spec Sheet and primary literature.
• Off-target profile and selectivity panels: Not specified for this item; refer to CoA/Spec Sheet and primary literature.

Note: Open literature describes nanatinostat within the context of HDAC inhibition; however, this catalog entry does not specify target details. Users should consult peer-reviewed sources and verify assay conditions and potencies independently.

Preguntas frecuentes

How should this product be stored?

Store at ?80 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 1256448-47-1, the molecular formula is C20H19FN6O2, and the molecular weight is 394.40 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.