JA397 , CAS No.J1425965

CAS: J1425965 Cat. No.: J1425965 Formule: C₂₄H₃₁N₇O₄ Poids moléculaire: 481.55

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

JA397 is a potent and selective inhibitor for the TAIRE family with cellular activity ranging from IC 50 values of 21 nM to 307 nM.

Specifications

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Noms et identifiants

Poids moléculaire

481.55

Application Protocols

Tested applications and protocols are only reported when provided in the product data.

• Item-specific protocols
  • Not specified for this item; refer to CoA/Spec Sheet.

No validated application protocols are available for JA397 at this time.

Biological Roles

Specific biological roles, targets, or pathways for JA397 are not disclosed.

• Item-specific information

  • Target/Pathway: Not specified for this item; refer to CoA/Spec Sheet.
  • Mode of action: Not specified for this item; refer to CoA/Spec Sheet.

• General context for small molecules in research (not item-specific)

  • Small molecules are commonly used as chemical probes to modulate enzymes, receptors, transporters, and protein–protein interactions, enabling functional studies of signaling and metabolism.
  • In phenotypic assays, compounds can reveal pathway dependencies; subsequent chemoproteomic or genetic approaches help identify molecular targets.
  • For biochemical/biophysical studies, monitor for assay interference (fluorescence quenching, redox cycling, colloidal aggregation) that can masquerade as biological activity.

• Practical guidance

  • Maintain consistent vehicle concentration (e.g., DMSO %) across control and treated samples.
  • Confirm activity across orthogonal readouts and quantify potency with full concentration–response curves.

No biological or pharmacological claims are made for this product. It is supplied strictly for research use only.

Buffer Applications

This product is a small-molecule library member, not a buffering reagent.

• Applicability

  • Buffer capacity/pKa: Not specified for this item; refer to CoA/Spec Sheet.
  • The compound is not intended to establish or maintain pH.

• Practical notes for assay buffers (general; not item-specific)

  • Prepare assay buffers (e.g., PBS, HEPES, Tris) suitable for your biological system, and introduce the compound from a concentrated DMSO or ethanol stock to keep the final co-solvent at an acceptable level (commonly ≤0.1–1% v/v).
  • Watch for precipitation upon dilution; include a brief incubation and gentle mixing. If needed, adjust ionic strength or add trace nonionic detergent (e.g., 0.01% Tween-20) to mitigate aggregation artifacts.

For item-specific buffer-related properties, consult the CoA/Spec Sheet once available.

Green Alternatives

Without a disclosed structure, green chemistry considerations focus on solvent handling for dissolution, assay preparation, and any ancillary chromatography.

• Greener choices for stock preparation and work-up (general)

  • Prefer ethanol or PEG-400 co-solvent systems where feasible for biocompatibility, recognizing potential solvency limits for highly lipophilic compounds.
  • Use microscale assays and miniaturization (1536-well formats) to reduce solvent consumption.
  • During purification/analytics, consider supercritical CO2 (for chiral/normal-phase separations) or water-rich LC gradients to reduce acetonitrile usage when method allows.

• Comparison (general; not item-specific)

  | Use case | Conventional | Greener alternative | Trade-offs | |---|---|---|---| | Stock solutions | DMSO | Ethanol, PEG-400, glycerol cosolvent | Lower solvency for nonpolar chemotypes; viscosity (PEG/glycerol) | | Sample extraction | ACN | EtOH/2-PrOH | Evaporation energy and miscibility considerations | | Chromatography | ACN/MeOH | EtOH (where compatible) | Higher viscosity/backpressure; method redevelopment |

• Operational green practices

  • Consolidate shipments and maintain cold-chain efficiency (already shipped on ice packs) to minimize waste.
  • Use closed-vial aliquots to extend shelf life and reduce repeated freeze–thaw cycles, thereby lowering re-synthesis and waste.

Item-specific environmental hazard data are Not specified for this item; refer to SDS.

Pharmaceutical Uses

No pharmaceutical excipient or manufacturing use is specified for this product.

• Item-specific status

  • Regulatory/pharmacopeial status: Not specified for this item; refer to CoA/Spec Sheet.
  • Formulation role (excipient/API): Not specified for this item; refer to CoA/Spec Sheet.

• General note (not item-specific)

  • Members of screening libraries are provided for discovery research only. If later considered for development, additional studies are required: definitive impurity profiles, salt/polymorph selection, stability, and comprehensive safety assessments.

This product is supplied strictly for research use and is not intended for human or veterinary use, diagnostics, or as a drug substance or excipient.

Physical Properties

Key physicochemical parameters are not provided for this specific library member.

• Item-specific values

  • 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 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.
  • Solubility profile: Not specified for this item; refer to CoA/Spec Sheet.
  • LogP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.

• Practical guidance (general; not item-specific)

  • For unknown solids in libraries, begin solubility screening with DMSO (10–50 mM stock), then evaluate DMF, ethanol, acetonitrile, or buffered aqueous media with co-solvent (≤1–2% v/v DMSO in assays).
  • Assess hygroscopicity and polymorphism by recording mass versus humidity and differential scanning calorimetry (DSC) if formulation stability is critical.
  • Measure actual solubility by equilibrium shake-flask or kinetic UV methods; confirm absence of aggregation by DLS or detergent tests if used in biochemical assays.

• Critical note

  • Do not treat any of the above as specifications. Obtain definitive, item-specific data from the CoA/Spec Sheet and verify in-house as needed for your application.

Quality and Grades

Item-specific quality grade and purity are not provided.

• Item-specific status

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

• Interpreting grades (general guidance; not item-specific)

  • Screening/Library grade: Typically suitable for HTS and early SAR; often supported by HPLC purity (e.g., ≥90–95%) and identity confirmation (MS/NMR). UV background and residual solvents may be reported.
  • Analytical/Research grade: Emphasizes low-level impurities for mechanistic or biophysical studies; tighter specs on water, residual metals, and UV cutoffs.

• Typical documentation for small-molecule libraries (general)

  • Identity: 1H NMR, HRMS/LC–MS, and, where relevant, 13C NMR.
  • Purity: HPLC/UPLC area% with method details (column, gradient, λ).
  • Form: Mass of solid or volume of DMSO stock; salt form specification if applicable.

• Practical notes

  • If using in sensitive assays (biophysics, chemoproteomics), consider in-house orthogonal purity checks (qNMR, two-method LC) and screen for pan-assay interference (PAINS) motifs after structure disclosure.
  • For SAR, request batch-level CoA to ensure lot-to-lot consistency.

For definitive grade/purity, consult the CoA/Spec Sheet supplied for this SKU.

Reaction and Applications

No synthetic or application notes are provided for JA397. As a member of a small-molecule library, typical research uses are screening-oriented rather than preparative chemistry.

• Item-specific manufacturer applications

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

• Typical research applications for library compounds (general; not item-specific)

  • High-throughput screening (HTS): Evaluate biological activity across enzyme, receptor, or cell-based panels to identify hits.
  • Phenotypic screening: Probe cellular pathways without a priori target; follow-up with target deconvolution.
  • Biophysical assays: Use in DSF/TSA, SPR, ITC, NMR to assess binding, with attention to solubility and aggregation controls.
  • SAR development: After hit identification, analog profiling supports potency/selectivity optimization.

• Practical notes

  • Maintain vehicle controls and assess interference (auto-fluorescence, redox activity, colloidal aggregation) especially in optical and enzymatic assays.
  • Validate activity with orthogonal assay formats and counter-screens to minimize false positives.
  • For cheminformatics, once structure is disclosed, run PAINS/REOS filters and evaluate physicochemical liabilities (cLogP, TPSA, alerts).

There are no item-specific reaction conditions or named-reaction guidance available for JA397.

Reaction Conditions

Reaction conditions cannot be specified without a disclosed structure.

• Item-specific conditions

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

• General note (not item-specific)

  • If JA397 is to be used as a probe molecule rather than a reagent, no chemical reaction conditions are needed—focus instead on dissolution, stability, and assay compatibility.
  • If subsequent derivatization is planned after structure disclosure, develop conditions based on the revealed functional groups and leverage mild, chemoselective transformations to preserve scaffolds.

No literature reaction temperatures, catalysts, or yields are offered here due to lack of structural information.

Safety and Handling

Safety information is not provided for this item; consult the SDS for authoritative guidance.

• GHS/SDS status (item-specific)

  • Signal word: Not specified for this item; refer to SDS.
  • Hazard statements (H-phrases): Not specified for this item; refer to SDS.
  • GHS classification & pictograms: Not specified for this item; refer to SDS.

• General laboratory precautions (applicable to unknown small molecules)

  • Wear appropriate PPE: lab coat, safety glasses, and suitable chemically resistant gloves.
  • Handle in a fume hood to avoid inhalation of dusts, vapors, or aerosols.
  • Avoid contact with oxidizers, strong acids/bases, and reactive metals until compatibility is known. Use small-scale test compatibility where necessary.
  • Prevent moisture and light exposure during handling if compound reactivity is unknown; work quickly with closed containers.

• First aid overview (general)

  • Inhalation: move to fresh air; seek medical attention if symptoms persist.
  • Skin/eye contact: rinse with plenty of water for ≥15 minutes; remove contaminated clothing; seek medical attention as needed.
  • Ingestion: rinse mouth; do not induce vomiting; seek medical attention.

• Spill and disposal (general)

  • Absorb small spills with inert material; place in chemical waste. Dispose according to institutional and local regulations.

Always defer to the product-specific SDS and your institutional EHS procedures.

Solvent Selection

With no structure disclosed, select solvents empirically, prioritizing assay compatibility and stability.

• Primary choices (general; not item-specific)

  • DMSO: First-line for library compounds; high solvency across polarities; miscible with water and most organics; widely accepted in biological assays at ≤0.1–1% v/v.
  • DMF/ACN: Useful alternatives for stock solutions or chromatography; check assay tolerance.
  • Ethanol/Isopropanol: Acceptable for biochemical work at low percentages; reduced cytotoxicity vs DMF.
  • Buffers with co-solvent: Prepare working solutions by diluting DMSO stocks into PBS/HEPES with 0.01–0.1% nonionic detergent if aggregation is suspected.

• Selection strategy

  • Start with a 10–50 mM DMSO stock, check clarity, then serially dilute into assay media maintaining constant vehicle.
  • Evaluate precipitation upon dilution (visual/turbidity at 600 nm) and adjust co-solvent to remain below assay tolerance.
  • Consider pH effects if ionizable functionality is later disclosed; solubility can vary dramatically around pKa.

• Comparison snapshot (general)

  • DMSO: maximal solvency, moderate assay toxicity at higher %; hygroscopic.
  • ACN: low viscosity, volatile, limited aqueous tolerance.
  • EtOH: good biocompatibility, lower solvency for very lipophilic chemotypes.

Item-specific solvent preferences are Not specified for this item; refer to CoA/Spec Sheet.

Storage and Reconstitution

Item-specific storage guidance is provided; reconstitution instructions are not specified and should be determined by the end user based on downstream use.

• Item-specific storage and shipping

  • Storage conditions: Store at -20°C.
  • Shipped in: Ice chest + Ice pads (maintain cold chain upon receipt).

• Reconstitution (not item-specific; general guidance for small molecules)

  • If supplied as a solid and structure is unknown, begin with DMSO to prepare a concentrated stock (e.g., 10–50 mM), then dilute into working media maintaining constant vehicle percentage.
  • If supplied in solution, verify concentration by UV, LC–MS, or qNMR before aliquoting.
  • Use low-adsorption plasticware for hydrophobic compounds to minimize loss at low micromolar concentrations.

• Handling and stability tips

  • Aliquot to avoid repeated freeze–thaw; store tightly capped, under inert atmosphere if feasible, and protect from light until stability is known.
  • Allow vials to equilibrate to room temperature before opening to prevent condensation.
  • Record lot number, preparation date, solvent, and concentration on each aliquot for traceability.

For any item-specific instructions on solvent choice, stability, or permissible freeze–thaw cycles, consult the product’s CoA/Spec Sheet and SDS. Research use only.

Structure and Identity

Brief overview: This listing (JA397, SKU J1425965) is part of a small-molecule/compound library offering. No structural identifiers are provided for this specific item.

• Item identifiers (from Product Data)

  • Product Name: JA397
  • SKU: J1425965
  • CAS: J1425965 (catalog/internal reference; not a standard CAS Registry Number)
  • Category Path: 全部 / 可售 / 小分子和化合物库
  • Intended use: For research use only

• Structure descriptors (item-specific)

  • 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 and stereochemistry

  • Not available for this item. Without formula/SMILES, functional groups, ring systems, and stereocenters cannot be described. Please consult the product CoA/Spec Sheet for structural details and spectral confirmation (e.g., 1H/13C NMR, HRMS, HPLC purity).

• Notes on nomenclature

  • “JA397” appears to be an internal library code rather than an IUPAC name. Many screening collections use such codes to uniquely identify members prior to disclosure of full structural metadata under MTA or after purchase.

Synthetic Utility

The structure of JA397 is undisclosed, so specific synthetic transformations, functional group compatibility, or retrosynthetic strategies cannot be detailed.

• Item-specific reactivity and transformations

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

• General considerations (not item-specific)

  • If structural data become available, evaluate functional group handles (halides, boronates, amines, acids) for diversification via cross-coupling, amide formation, or heterocycle elaboration.
  • For library resupply or analogue synthesis, prioritize robust, convergent routes with chromatography-light workups, and design late-stage diversification vectors to expand SAR efficiently.
  • Confirm identity/purity using orthogonal analyses (qNMR with internal standard, LC–MS with two ionization modes, and purity by two chromatographic methods) to support screening-grade quality.

At present, no item-specific synthetic utility can be provided beyond general best practices.

Target Specificity

Target information is not provided for this product, and this section is only populated from product data.

• Item-specific details
  • Target/antigen: Not specified for this item; refer to CoA/Spec Sheet.
  • Species reactivity/Selectivity: Not specified for this item; refer to CoA/Spec Sheet.
  • Assay validation data: Not specified for this item; refer to CoA/Spec Sheet.

No claims about specificity or selectivity are made for JA397.

Foire aux questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is J1425965, the molecular formula is C24H31N7O4, and the molecular weight is 481.55 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.