AU-15330 - ≥99% , CAS No.2380274-50-8

CAS: 2380274-50-8 Cat. No.: A648008 Formula: C₃₉H₄₉N₉O₅S Molecular Weight: 755.93

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Application

PROTAC

Overview

AU-15330 is a proteolysis-targeting chimera (PROTAC) degrader of the SWI/SNF ATPase subunits, SMARCA2 and SMARCA4 . AU-15330 induces potent inhibition of tumour growth in xenograft models of prostate cancer and synergizes with the AR antagonist enzalutamide. AU-15330 induces disease remission in castration-resistant prostate cancer (CRPC) models without toxicity

In Vivo

AU-15330 (10 and 30 mg/kg; i.v.; 5 days per week for 3 weeks) shows no evident toxicity in immuno-competent mice . ?\nAU-15330 (60 mg/kg with or without 10?mg/kg enzalutamide; i.v.; 3 days per week; p.o.; 5 days per week for 5 weeks) leads to potent inhibition of tumour growth, triggering disease regression in more than 20% of animals. Combinatorial regimen induced the most potent anti-tumour effect, with regression in all animals . ?\nAU-15330 (60 mg/kg with or without 10?mg/kg enzalutamide; i.v.; 3 days per week; p.o.; 5 days per week for 5 weeks) strongly inhibits the growth of C4-2B cell line-derived CRPC xenografts in intact mice as a single agent and synergized with enzalutamide . ?\nAU-15330 (60 mg/kg with or without 10?mg/kg enzalutamide; i.v.; 3 days per week; p.o.; 5 days per week for 5 weeks) combines with enzalutamide induces significant tumour growth inhibition, causing regression in more than 30% of animals in the modle of CRPC variant of the MDA-PCa-146-12 PDX by tumour implantation into castrated mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Six-week-old male CB17 severe combined immunodeficiency (SCID) mice Dosage: 10 and 30 mg/kg Administration: i.v. (5 days per week for 3 weeks) Result: Showed no evident toxicity in immuno-competent mice. Animal Model: VCaP castration-resistant tumour model (six-week-old male CB17 severe combined immunodeficiency (SCID) mice) Dosage: 60 mg/kg with or without 10 mg/kg enzalutamide Administration: i.v. (3 days per week); p.o. (5 days per week for 5 weeks) Result: Resulted inhibition of tumor growth and triggered disease regression in more than 20% of animals. Combinatorial regimen induced the most potent anti-tumour effect, with regression in all animals. Animal Model: C4-2B non-castrated tumour model (six-week-old male CB17 severe combined immunodeficiency (SCID) mice) Dosage: 60 mg/kg with or without 30 mg/kg enzalutamide Administration: i.v. (3 days per week); p.o. (5 days per week for 4 weeks) Result: Strongly inhibited the growth of C4-2B cell line-derived CRPC xenografts in intact mice as a single agent and synergized with enzalutamide.

Form:Solid

IC50& Target:SMARCA2 and SMARCA4

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

AU-15330 is a proteolysis-targeting chimera (PROTAC) degrader of the SWI/SNF ATPase subunits, SMARCA2 and SMARCA4 . AU-15330 induces potent inhibition of tumour growth in xenograft models of prostate cancer and synergizes with the AR antagonist enzalutami

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Molecular Weight: 755.93

Chemical and Physical Properties

• Solubility: DMSO : 140 mg/mL (185.20 mM; Need ultrasonic)

Application Protocols

No tested applications, protocols, or recommended conditions are provided for AU-15330 in the Product Data.

• Guidance
  • Refer to your laboratory’s SOPs for assay setup, dosing, plate handling, and data analysis. For lot-specific handling notes, request the CoA/Spec Sheet or SDS.

Biological Roles

• Item-specific facts (from Product Data)

  • No target, pathway, or biological role is provided for AU-15330.

• General context (no clinical claims)

  • As a member of a small-molecule library, AU-15330 is intended for research screening to explore potential modulation of biochemical targets or pathways. Any biological role must be established experimentally and corroborated with orthogonal assays and counter-screens.
  • Recommended practices include testing across dose ranges to assess potency and cytotoxicity, evaluating selectivity panels as appropriate, and confirming mechanism with biophysical methods (e.g., SPR, DSF, NMR) when feasible.
  • If activity is observed, characterization of on- and off-target effects, redox behavior, aggregation propensity, and interference with detection modalities should be performed.

• Data needs

  • Full structural disclosure enables in silico predictions (e.g., logP, pKa, alert flags) and prioritization for follow-up studies; request CoA/Spec Sheet or SD file when available.

Buffer Applications

This product is not a buffering agent. No item-specific buffer system information is provided.

• Practical guidance for assay buffers (general)

  • When dosing DMSO stocks of small molecules into aqueous buffers, maintain a consistent final DMSO percentage across wells/tubes to avoid solvent-driven artifacts.
  • Typical compatible buffers for biochemical assays include HEPES, PBS, or Tris at appropriate pH; add nonionic detergents (e.g., 0.01–0.05% Tween-20) if aggregation is a concern.
  • Filter buffers (0.22 µm) and pre-equilibrate to assay temperature; verify compound stability in the selected buffer over the assay time course.

• Item-specific note

  • No buffer recipes, pH ranges, or compatibility data are specified for AU-15330; refer to your assay SOP and perform small-scale compatibility tests.

Green Alternatives

Without structural data, “green” choices focus on solvent and process selection rather than the molecule itself.

• Stock solutions and assays (general guidance)

  • Prefer lower-toxicity solvents when feasible: switch from DMF to DMSO or ethanol for stock preparation if solubility allows.
  • Limit final organic solvent in aqueous assays to ≤0.5% v/v where possible to reduce environmental load and improve biocompatibility.

• If employing AU-15330 in synthesis (general guidance)

  • Consider greener solvent substitutions guided by solvent selection guides.

• Comparison (general guidance)

  • Example alternatives for common tasks:
    • DMF → Cyrene, NBP/PC mixtures, or propylene carbonate (tradeoffs: viscosity, base compatibility).
    • Dichloromethane → EtOAc or Me-THF (tradeoffs: selectivity, solubility, boiling point).
    • THF → 2-MeTHF or CPME (tradeoffs: peroxide formation risk vs stability, water content management).
  • Energy efficiency: favor room-temperature reactions and catalytic methods; microscale screening reduces solvent usage.

• Waste minimization

  • Use miniaturized assay volumes, sealed plates to limit evaporation, and validated quench/extraction protocols to avoid rework.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation guidance is provided for this item.

• Research-only context (from Product Data)

  • For research use only. Not for human or animal use in vivo. No medical or clinical claims are made.

• General formulation considerations for discovery studies (non-clinical)

  • For in vitro research, DMSO or ethanol stocks are common; control solvent levels to minimize biological interference.
  • For exploratory in vivo research in laboratory animals (if permitted under your protocols), typical vehicles include PEG400/saline, Captisol solutions, or lipid-based systems; however, no item-specific suitability is asserted here. Confirm solubility, stability, and tolerability independently.

• Compliance

  • Any progression toward development requires comprehensive CMC data, impurity profiles, and safety assessments; none are provided for AU-15330.

Physical Properties

Item-specific specifications are not provided for this entry.

• Item-specific facts (from Product Data)

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

• Typical property set (literature/general for small-molecule library solids or oils)

  • Melting/Boiling Point: Not specified for this item; refer to CoA/Spec Sheet.
  • Density: Not specified for this item; refer to CoA/Spec Sheet.
  • Solubility: Many screening compounds are supplied as solids and are commonly prepared as 10–50 mM DMSO stocks (general practice). Actual solubility for AU-15330 is not specified; confirm experimentally.
  • LogP, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.

• Practical notes (general guidance)

  • If the compound is moisture- or air-sensitive (storage suggests inert gas), minimize exposure during weighing and dissolution.
  • Perform a small-scale solubility screen (e.g., DMSO, DMF, ethanol, acetonitrile, aqueous buffers with co-solvent) to define working conditions. Document concentrations and any observed precipitation upon dilution into assay media.

Quality & Grades

• Item-specific facts (from Product Data)

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

• How to interpret grade and documentation (general guidance)

  • For small-molecule library members, vendors typically provide purity by HPLC/UPLC (e.g., ≥95%) and identity by MS/1H NMR; however, no specific guarantee is stated here. Request the CoA/Spec Sheet for AU-15330 to confirm analytical criteria, test methods, and acceptance limits.
  • Stabilization/inerting: Argon-charged and desiccated storage indicates care to preserve integrity. If a stabilizer or counterion is used, it will be listed on the CoA. In the absence of such detail, assume neat compound with standard stabilizing storage.
  • Batch-to-batch traceability: Use the lot number on your label to request lot-specific analytical data (chromatograms, spectra) for audit and data integrity.

• Practical QA notes (general guidance)

  • Verify identity and purity upon receipt when critical (e.g., LC–MS single-peak profile, HRMS match, quick 1H NMR in suitable deuterated solvent).
  • Establish in-house acceptance criteria aligned with your screening thresholds (e.g., purity ≥95%, water ≤0.5% w/w) — item-specific values are not provided here.

Reaction & Applications

• Item-specific facts (from Product Data)

  • Category: Small molecules and compound libraries (screening).
  • Manufacturer Applications: Not provided beyond listing; no reaction-specific claims are made.

• Discovery and screening applications (general guidance)

  • Use in high-throughput screening (HTS), fragment-to-lead or hit expansion workflows as a test article in biochemical, biophysical, or cell-based assays.
  • Employ in orthogonal assay formats to deconvolute artifacts (e.g., fluorescence interference, redox cycling); ensure counter-screens and PAINS filters where applicable.
  • Early ADME assessment: solubility, permeability, microsomal stability, and basic chemical stability profiling are recommended to contextualize activity data.

• Synthetic or derivatization context (general guidance)

  • If AU-15330 structure becomes available, analog synthesis for SAR may include routine transformations (amide couplings, SNAr, Suzuki/Miyaura, reductive aminations) depending on functional handles; none can be asserted for this item without structure.

• Practical handling for assays

  • Prepare calibrated DMSO stocks, avoid freeze–thaw cycling, and use barcoded, inert-atmosphere vials if compound is air/moisture sensitive (hinted by storage conditions). Document plate maps and solvent controls meticulously.

Reaction Conditions

No reaction conditions are specified for AU-15330.

• General guidance (if employing in synthesis once structure is known)
  • Couplings: For Suzuki–Miyaura, typical conditions include Pd(dppf)Cl2·DCM or Pd2(dba)3/XPhos in dioxane/water or 2-MeTHF, K2CO3 or Cs2CO3 base, 50–100 °C (literature, scaffold-dependent).
  • Amide formation: HATU or EDCI/HOBt alternatives in DMF/MeCN with DIPEA, 0–25 °C to room temp; green options include T3P or CDI in EtOAc/Me-THF (literature).
  • Reductive amination: NaBH3CN or NaBH(OAc)3 in MeOH/THF/DCE, 0–25 °C; catalytic hydrogenation (Pd/C) where appropriate (literature).
  • Heteroaryl SNAr: Polar aprotic solvent (DMSO/DMF), inorganic base (K2CO3/Cs2CO3), 50–120 °C (literature).

These are representative, literature-level ranges and must be tuned to the actual functional groups of AU-15330 once disclosed. Always verify compatibility and safety before scale-up.

Safety & Handling

Safety information specific to AU-15330 is not provided in the Product Data. Handle as a laboratory chemical of unknown hazard.

• Item-specific facts (from Product Data)

  • Storage: Store at 2–8 °C, argon charged, desiccated
  • Shipment: Wet ice
  • GHS Classification, Signal Word, H-Statements, Pictograms: Not specified for this item; refer to SDS.

• General laboratory precautions (general guidance; defer to SDS for authoritative data)

  • PPE: Wear lab coat, safety glasses, and appropriate chemical-resistant gloves. Use a fume hood to avoid inhalation exposure to powders, dusts, or vapors.
  • Incompatibilities: Unknown for this item. As a precaution, avoid strong oxidizers and strong acids/bases unless compatibility is confirmed.
  • Hygiene: Avoid contact with skin and eyes. Wash thoroughly after handling. Prevent ingestion and inhalation.
  • Air/moisture sensitivity: Storage under argon and desiccation suggests potential sensitivity; keep containers tightly closed, purge headspace with inert gas after use, and limit ambient exposure.
  • First aid (overview): In case of skin/eye contact, rinse with water for at least 15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If ingested, rinse mouth and seek medical attention. Always consult the SDS for compound-specific response.

• Waste disposal

  • Dispose of in accordance with institutional policies and local regulations for organic research chemicals.

Solvent Selection

Because the structure is not provided, solvent choice should be empirically determined.

• Item-specific facts (from Product Data)

  • None specified beyond storage; refer to CoA/Spec Sheet for any solubility notes.

• General guidance for small-molecule library compounds

  • Primary stock solvent: DMSO is the default for discovery screening due to broad solvency and assay compatibility at 0.1–1% v/v final concentration. Start with 10–20 mM stocks.
  • Alternative solvents: DMF, acetonitrile, ethanol, isopropanol can aid dissolution; consider mixed co-solvents (e.g., DMSO:ACN 1:1) as needed.
  • Aqueous use: Many compounds precipitate upon aqueous dilution; add compound stock last, with vigorous mixing, and keep final organic content consistent across controls.
  • Polarity considerations: Without structure, assume need to screen polar aprotic (DMSO/DMF), moderately polar (MeCN/EtOH), and nonpolar (toluene/EtOAc) if using in synthesis rather than assays.

• Practical tips

  • Check for stability in chosen solvent over the experimental time frame (LC at t=0, 24 h, room temp vs refrigerated autosampler).
  • Filter or centrifuge to remove particulates prior to bioassay; record exact solvent composition for reproducibility.

Storage & Reconstitution

• Item-specific facts (from Product Data)

  • Storage Conditions: Store at 2–8 °C, argon charged, desiccated.
  • Shipped In: Wet ice.

• Reconstitution

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

• Handling notes aligned with storage (general)

  • Given the inert atmosphere and desiccation, open vials briefly, purge with inert gas after use, and keep desiccant active. Minimize freeze–thaw and moisture exposure.
  • Record preparation details (solvent, concentration, date) for any solutions you prepare and assess stability as required.

• Stability

  • No shelf-life or stability data are specified for this item; verify fit-for-use periodically by LC–MS or HPLC.

Structure & Identity

Brief overview: AU-15330 (SKU A648008) is listed in our small-molecule screening library category. Specific structural identifiers are not provided for this catalog entry.

• Item-specific facts (from Product Data)

  • SKU: A648008
  • Product Name: AU-15330
  • CAS: 2380274-50-8
  • Category Path: 全部 / 可售 / 小分子和化合物库
  • Research Use: For research use only
  • Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
  • InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
  • SMILES: Not specified for this item; refer to CoA/Spec Sheet.

• Structural features (general guidance)

  • Structural motifs, ring systems, stereocenters, and functional groups cannot be detailed without a structure. If your workflow requires these data (e.g., for cheminformatics, docking, or property prediction), please request the CoA/Spec Sheet or associated SD file when available.

• 2D structure (description)

  • Not available for this entry. A 2D depiction can be provided upon request if structural data are released for this SKU.

Synthetic Utility

Item-specific functional groups and reactivity cannot be described without structural information.

• General retrosynthetic perspective (guidance)

  • Once the structure of AU-15330 is available, identify disconnections that map onto robust transformations (e.g., cross-couplings for aryl–aryl/aryl–vinyl bonds, amide couplings for peptidic linkages, SNAr for electron-deficient heteroaryl systems, reductive amination for amine-containing scaffolds).
  • Protecting-group strategy, oxidation state management, and late-stage diversification can be planned to support SAR.

• Library follow-up chemistry (general)

  • If hits emerge, consider parallel synthesis enabling rapid exploration of vectors around the scaffold (e.g., boronate/halide pairs for Suzuki sets; amine/acyl chloride matrices for amide arrays). Apply DoE to balance yield, purity, and green metrics.

• Analytical controls (general)

  • LC–MS for reaction monitoring, 1H/13C NMR for structure confirmation, chiral HPLC if stereocenters are present. Establish stability-indicating methods early.

Target Specificity

• Item-specific facts (from Product Data)

  • No biological target, class, or selectivity profile is provided for AU-15330.

• Note

  • Any claims of specificity must be established experimentally. Include orthogonal assays and control compounds when profiling activity.