JB170 - 10mM in DMSO , CAS No.2705844-82-0

CAS: 2705844-82-0 Cat. No.: J654836 Formula: C₄₈H₄₄ClFN₈O₁₁ Peso molecolare: 963.36

QUALITÀ & PUREZZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

JB170 is a potent and highly specific PROTAC -mediated AURORA-A ( Aurora Kinase ) degrader ( DC 50 =28 nM) by linking Alisertib, to the Cereblon -binding molecule Thalidomide. JB170 preferentially binds AURORA-A ( EC 50 =193 nM) over AURORA-B (EC 50 =1.4 µM). JB170-mediated S-phase arrest is caused specifically by AURORA-A depletion. JB170 has excellent ability to inhibit non-catalytic function of AURORA-A kinase

In Vitro

JB170 (1 μM; 24-72 hours; MV4-11 cells) mediates Aurora-A depletion inhibiting cancer cell survival. ?\nJB170 (0.01-10 μM; 6 hours; MV4-11 cells) reduces AURORA-A levels. ?\nJB170 (0.5 μM; 12 hours; MV4-11 cells) delays/arrests S-phase progression. ?\nJB170 (0.5 μM; 0-72 hours; MV4-11 cells) induces apoptosis is exclusively caused by targeting AURORA-A. ?\nJB170 (0.1 μM; 0-9 hours; IMR5 cells) shows rapid AURORA-A depletion. JB170 (0~1 μM; 6 hours; MV4-11 cells) strongly attenuates in mutants with respect to AURORA-A. JB170 (0.1 μM; 18 hours; MV4-11 cells) does not activate AURORA-A. JB170 (0~1 μM; 24 hours; IMR5 cells) largely abrogates AURORA-A T217D depletion. JB170 (1 μM; 4 days; IMR5 cells) mediates Aurora-A depletion inhibiting cancer cell survival. JB170 (IMR5 cells) reduces AURORA-A levels by lowering AURORA-A mRNA levels. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: MV4-11 cells Concentration: 1 µM Incubation Time: 24-72 hours Result: After 72 hours, the number of viable cells was 32% of control levels. Western Blot AnalysisCell Line: MV4-11 cells Concentration: 0.01~10 μM Incubation Time: 6 hours Result: Substantial degradation was observed at 100 nM and 1 µM. Apoptosis AnalysisCell Line: MV4-11 cells Concentration: 0.5 µM Incubation Time: 0~72 hours Result: Apoptosis was exclusively caused by targeting AURORA-A. Cell Cycle AnalysisCell Line: MV4-11 cells Concentration: 0.5 µM Incubation Time: 12 hours Result: Delayed or arrested S-phase progression.

IC50& Target:Aurora A 28 nM (DC 50 ) Aurora A 99 nM (Kd) Aurora A 193 nM (EC 50 ) Cereblon

Specifiche

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

JB170 is a potent and highly specific PROTAC -mediated AURORA-A ( Aurora Kinase ) degrader ( DC 50 =28 nM) by linking Alisertib, to the Cereblon -binding molecule Thalidomide. JB170 preferentially binds AURORA-A ( EC 50 =193 nM) over AURORA-B (EC 50 =1.4

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.

Nomi e identificatori

Peso molecolare

963.36

Application Protocols

No vendor-validated application protocols are provided for JB170 in the Product Data.

General starting points for research use (not item-specific)

• Stock preparation
  • Dissolve in anhydrous DMSO to 10–50 mM. Vortex and, if needed, warm gently (≤40°C) to aid dissolution. Filter or centrifuge to remove particulates.
• Assay dilution
  • Prepare intermediate DMSO plates to maintain uniform final DMSO across wells (e.g., 0.1–1% v/v). Include vehicle controls.
• Light and stability
  • If chromophoric/photolabile (unknown here), work under low light or amberware. Record any visible color change or precipitation.
• Documentation
  • Record lot number, preparation date, and concentration. Validate by LC–MS/UV where feasible.

These are generic guidelines; adapt to your assay and obtain structure-specific parameters from the CoA or internal QC.

Biological Roles

Item-specific biological roles, targets, or pathways for JB170 are not provided.

General considerations for small-molecule library members (not item-specific)

• Potential roles
  • May act as enzyme modulators, receptor ligands, ion channel modulators, or pathway probes depending on structure and stereochemistry.
  • Could serve as chemical biology tools after validation: potency, selectivity, and cellular permeability must be established.
• Assay strategy
  • Start with primary biochemical or phenotypic screens; follow with counterscreens against common artifacts (fluorescence interference, redox cycling, colloidal aggregation).
  • Confirm activity in orthogonal format (e.g., biophysical binding) and determine preliminary ADME-like properties (stability in buffer, microsomal stability, permeability) where relevant to your research.
• Target deconvolution options
  • Use chemoproteomics, CETSA, DARTS, or affinity capture once a reliable handle (active analog or tagged derivative) is available.

Note: No clinical or therapeutic claims apply; JB170 is provided strictly for research use only, as indicated in the Product Data.

Buffer Applications

Specific buffer roles, pKa values, or buffering capacity for JB170 are not provided and may not be applicable if the compound is not intended as a buffer component.

General guidance (not item-specific)

• If JB170 is used in aqueous assays, prepare stocks in DMSO and dilute into an appropriate buffer system (e.g., HEPES, PBS, Tris) compatible with your target biology.
• For ionizable compounds, buffer pH can affect solubility and apparent potency; maintain consistent pH and ionic strength across experiments.
• Avoid precipitation by keeping the DMSO percentage constant across wells and by pre-warming buffers if solubility is temperature-sensitive.

Conclusion: JB170 is unlikely to serve as a buffering agent; select standard biological buffers tailored to your assay and use JB170 as an analyte/perturbant rather than a buffer component.

Green Alternatives

Because structure and function-specific details for JB170 are not available, green chemistry guidance is provided at a general level for handling small-molecule library compounds (not item-specific):

• Solvent footprint
  • Prefer water with minimal DMSO in biological assays; cap DMSO at the lowest workable percentage.
  • When preparing stocks, consider 50% aqueous co-solvent systems (e.g., DMSO/water or ACN/water) to reduce neat organic consumption.
• Procurement and packaging
  • Consolidate orders to minimize cold-chain shipments. Choose vial sizes matching anticipated use to reduce freeze–thaw and waste.
• Energy and storage
  • Group samples in secondary boxes for efficient -80°C storage; avoid frequent door openings and use inventory management to shorten retrieval time.
• Waste minimization
  • Scale assays to microvolume formats (384/1536-well) where possible; employ acoustic dispensing to reduce solvent use.

Comparison snapshot (general)

• DMSO vs DMF/NMP: DMSO is typically preferred for reduced toxicity and better EHS profile; DMF/NMP carry stricter regulatory scrutiny.
• ACN vs MeOH: ACN offers lower viscosity and UV cut-off advantages but has supply chain volatility; MeOH is more benign but may be less compatible with some LC methods.

Always align with institutional green-chemistry policies and solvent selection guides (e.g., CHEM21, GSK, Pfizer solvent guides).

Pharmaceutical Uses

Item-specific pharmacopeial status, excipient roles, or formulation uses for JB170 are not provided. No medical, diagnostic, or therapeutic claims are made for this product; it is for research use only.

General formulation context for research compounds (not item-specific)

• Preformulation screens often evaluate solubility in biorelevant media (FaSSIF/FeSSIF), pH-solubility profiles, and stability (hydrolytic, oxidative, photolytic) to guide in vivo research—not applicable here without structure and outside the scope of this catalog entry.
• If formulation studies are conducted in a research setting, common vehicles include DMSO/PEG400/saline or Captisol systems; selection depends on compound ionization and lipophilicity.

Regulatory note

• Absence of pharmacopeial monograph or GMP grade information indicates the product is not intended for human or veterinary use. Do not use for clinical applications or compounding.

Physical Properties

Item-specific properties

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

General/literature guidance for small-molecule library members (not item-specific)

• Solubility strategy: For unknown scaffolds, begin with DMSO stock at 10–50 mM; if insoluble, explore cosolvents (DMF, NMP) or salt formation for ionizable compounds.
• Hygroscopicity: Many heteroatom-rich chemotypes are moderately hygroscopic; minimize headspace and exposure during weighing.
• Solid vs oil: If the appearance is not specified, assume handling in a microbalance-friendly vial; if an oil, use pre-tared containers and viscous-liquid techniques (positive-displacement pipettes).

Measurement notes

• Determine actual solubility and pH-dependent properties empirically on receipt (shake-flask solubility or nephelometry; potentiometric pKa if relevant). Document results in your ELN and align with the CoA if provided.

Quality and Grades

Item-specific information

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

General context for screening library compounds (not item-specific)

• Typical quality attributes
  • Purity determination: Often by LC–UV/ELSD with MS confirmation; thresholds commonly ≥95% for screening collections, though discovery workflows may accept ≥90% in early triage.
  • Identity: Verified by high-resolution MS and 1H NMR; some suppliers include 13C NMR or qNMR for quantitative purity.
  • Residual solvents/inorganics: Karl Fischer moisture and residual solvent profiles may be provided on request.
• Implications for use
  • For biochemical assays, purity and counter-screening against assay interferences (absorbance/fluorescence) are critical; consider orthogonal detection.
  • For medicinal chemistry follow-up, obtain batch-specific CoA and, if needed, resynthesize/repurify to analytical grade before SAR.

Documentation recommendations

• Request the CoA for JB170 (SKU J654836) to confirm purity, analytical methods, and batch identifiers. Record lot number, receipt date, and any in-house QC (LC–MS, NMR) in your ELN.

Reaction and Applications

Manufacturer Applications: Not specified in the Product Data for JB170. The compound is categorized under “small molecules and compound libraries,” suggesting utility in screening and discovery workflows rather than as a synthetic reagent per se.

General applications for small-molecule library members (not item-specific)

• Primary use cases
  • High-throughput screening (HTS), fragment or lead discovery, target deconvolution studies.
  • Chemical biology probes after follow-up validation (structure confirmed, purity assured).
• Assay considerations
  • Evaluate aggregation or redox activity; employ detergent controls, light controls, and orthogonal readouts (e.g., switch fluorescence to MS-based readouts to avoid artifacts).
  • Check for PAINS/IMAP/REOS structural alerts once the structure is available.
• Orthogonal confirmation
  • Use thermal shift assays (DSF), SPR, MST, ITC, or cellular target engagement assays (CETSA) to corroborate biochemical hits.
• Downstream chemistry
  • If JB170 yields activity, pursue SAR with close analogs; confirm stereochemistry and regiochemistry if relevant, and remove liabilities (reactive moieties, photolability, metal-chelating motifs) during optimization.

Note: Without structure-specific information, synthetic reaction roles (e.g., as a reagent, ligand, or catalyst) cannot be assigned. Refer to the CoA and structural file for more targeted application guidance.

Reaction Conditions

No reaction condition guidance can be provided for JB170 as a reagent because its structure and reactivity are not specified.

General literature guidance for small-molecule elaboration (not item-specific)

• Amide coupling: HATU/HBTU/EDC with bases like DIPEA in DMF or MeCN, 0–25°C, 0.5–16 h.
• Cross-coupling: Suzuki (Pd(PPh3)4 or Pd-PEPPSI, K2CO3 or Cs2CO3, 50–100°C, dioxane/H2O or toluene/EtOH/H2O); Buchwald–Hartwig (Pd2(dba)3 + dialkylbiarylphosphine ligands, NaOtBu, 60–110°C).
• Reductive amination: NaBH3CN or BH3·THF, MeOH/THF, pH 5–6 (AcOH), 0–25°C.
• Photoredox LSF: Ir(ppy)3 or 4CzIPN catalysts, blue light (450 nm), MeCN or DMSO, 20–40°C.

These are general examples and are not specific to JB170. Use only after the structure is known and compatibility confirmed.

Safety and Handling

Item-specific safety information

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / H-statements / pictograms: Not specified for this item; refer to SDS.
• Incompatibilities: Not specified for this item; refer to SDS.
• Storage condition (from Product Data): Store at -80°C.
• Shipping: Dry ice packs + Cold packs.

General laboratory guidance (not item-specific; follow your institutional SOPs)

• PPE: Use lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Handle powders in a fume hood to avoid inhalation of dust or aerosols.
• Weighing: For ultracold-stored materials, allow vials to equilibrate briefly at 0–4°C in a desiccated environment to minimize condensation. Spin down briefly before opening.
• Avoid cross-contamination: Use clean spatulas/tips; if oil/semi-solid, employ positive-displacement pipettes.
• First aid (overview; defer to SDS): Eye/skin contact—rinse with water for 15 minutes; inhalation—move to fresh air; ingestion—rinse mouth and seek medical attention.
• Waste: Dispose of according to local regulations for organic laboratory chemicals; segregate halogenated vs non-halogenated wastes as applicable.

Note: Always consult the official SDS for JB170 prior to first use; the SDS is the authoritative source for hazards, exposure limits, and spill/accident procedures.

Solvent Selection

Item-specific solvent properties are not provided in the Product Data. The following is general guidance for dissolving small-molecule screening compounds (not item-specific):

• Primary stock solvent
  • DMSO is the default for discovery screening; start at 10–50 mM.
  • If precipitation occurs upon dilution into aqueous buffers, establish a DMSO ceiling (typically 0.1–1% v/v in assay) compatible with your biology.
• Alternative solvents
  • DMF or NMP for difficult-to-solubilize, polar, or aromatic scaffolds.
  • Acetonitrile as an injection solvent for LC; miscible with water and suitable for many detector setups.
  • Ethanol/Isopropanol for certain lipophilic compounds when biological compatibility allows.
• Buffers and co-solvents
  • For ionizable compounds, adjust pH to favor the ionized state (bases: acidic buffer; acids: basic buffer) to improve aqueous solubility.
• Practical notes
  • Filter or centrifuge (e.g., 3k–10k g for 5–10 min) to remove particulates prior to assays or LC–MS.
  • Avoid adsorption losses by using low-bind plastics or silanized glass when compound is highly lipophilic.

Conclusion: Select solvents based on empirical solubility screening; document the final vehicle and concentrations in your assay records.

Storage and Reconstitution

Item-specific facts (from Product Data)

• Storage condition: Store at -80°C.
• Shipped in: Dry ice packs + Cold packs.
• Grade/purity: Not specified for this item; refer to CoA/Spec Sheet.

General handling and reconstitution guidance (not item-specific)

• Upon receipt: Keep frozen. Inventory quickly to minimize warm-up. Centrifuge briefly before opening to collect material.
• Aliquoting: Prepare single-use aliquots (solid or DMSO stocks) to avoid repeated freeze–thaw. Use low-bind tubes or amber vials if light-sensitive.
• DMSO stocks: Typical 10–50 mM. Store at -20°C or -80°C depending on stability; avoid moisture ingress. Record water pickup if Karl Fischer is available.
• Stability checks: Periodically verify integrity by LC–MS/UPLC. Watch for precipitation, discoloration, or odor changes upon thaw.
• Thawing: Warm to 0–4°C first to minimize condensation; then to ambient just before use. Do not leave at room temperature longer than necessary.

Note: In the absence of compound-specific stability data, default to the most conservative conditions provided (-80°C) and consult the CoA/SDS for any additional instructions.

Research Use Note: For research use only.

Structure and Identity

Brief overview: JB170 (SKU J654836) is listed as a small-molecule library member; item-specific structural identifiers are not provided in the current product data.

• Item-specific facts (from Product Data)

  • Product name: JB170 (SKU: J654836)
  • CAS: 2705844-82-0
  • 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.
  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.

• Structural features

  • Functional groups, ring systems, stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.

• Practical identity notes (general guidance)

  • For screening compounds, identity is typically confirmed by LC–MS and 1H NMR; request the Certificate of Analysis (CoA) for batch-specific spectra and purity.
  • If you plan to register the compound in ELN/ChemReg systems, obtain a definitive structure (SMILES/InChI) from the CoA or the library manifest to enable structure-based searches and substructure alerts (PAINS, REOS).

Synthetic Utility

Item-specific functional groups and reactivity for JB170 are not provided, so its role as a reagent or building block cannot be defined from the Product Data.

General guidance (not item-specific)

• If JB170’s structure becomes available and it contains a handle (e.g., aryl halide, boronate, carboxylic acid, amine), standard cross-coupling, amide coupling, or reductive amination routes could enable analog generation for SAR.
• For probe development, consider installing tags (alkyne/azide/biotin) via chemoselective transformations where a synthetically accessible position exists.
• Protecting-group strategies and late-stage functionalization (C–H activation, photoredox) can provide rapid diversification once the scaffold’s directing groups are known.

Recommendation

• Obtain the structural file (SMILES/InChI) and CoA. Plan retrosynthesis/SAR only after verifying identity and functional group compatibility.

Target Specificity

Not applicable. JB170 is listed as a small-molecule library member without target annotation in the Product Data.

• Item-specific target, pathway, or selectivity information: Not specified for this item; refer to CoA/Spec Sheet or library manifest if available.
• Recommendation: If biological activity is observed, proceed with orthogonal binding/engagement assays and selectivity profiling across related targets to define specificity.

Domande frequenti

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 2705844-82-0, the molecular formula is C48H44ClFN8O11, and the molecular weight is 963.36 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.