VPC-3033 , CAS No.110763-24-1

CAS: 110763-24-1 Cat. No.: V1454263 Formula: C₂₁H₁₄O₂ Molecular Weight: 298.33

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

VPC-3033 is an androgen receptor antagonist. VPC-3033 has a strong androgen DHT replacement potency ( IC 50 : 0.625-2.5 μM), can effectively inhibit androgen receptor transcriptional activity ( IC 50 =0.3 μM), and has a strong androgen receptor degradation ability. In addition, VPC-3033 exhibits significant anti-androgen receptor activity against prostate cancer cells resistant to Enzalutamide.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Molecular Weight: 298.33

Application Protocols

No tested applications or protocols are provided for this product.

• Item-specific
  • Recommended dilutions, positive controls, and validated assay formats: Not specified for this item; refer to CoA/Spec Sheet or internal SOPs.
• General protocol example (assay-ready plate preparation)
  • Prepare a 10 mM stock in anhydrous DMSO; verify complete dissolution by visual inspection and, if needed, brief sonication.
  • Aliquot into low-bind tubes/plates, flush with inert gas if air-sensitive, and store at −20°C.
  • For a 0.5% final DMSO assay condition in a 100 µL well, add 0.5 µL of 100× stock per well, then top up with buffer/cell media.
  • Include vehicle-only controls and, where possible, a mechanistically unrelated positive control to benchmark assay performance (Z′-factor, S/B, CV%).
• These are general research guidelines and not item-specific validations.

Biological Roles

• Item-specific
  • No biological function or mechanistic annotation is provided for VPC-3033 in this listing. Research use only.
• General considerations for small-molecule library members (general knowledge)
  • Such compounds may serve as chemical probes or starting points to interrogate biochemical pathways once target engagement is established experimentally.
  • Prior to interpreting any biological effect, assess liabilities: aggregation, covalent reactivity, redox cycling, PAINS motifs, and assay interference (fluorescence/absorbance overlap, metal chelation).
  • Orthogonal validation (biophysical binding, mutational sensitivity, or CETSA/DSF) strengthens confidence in putative target interactions.
• Data quality recommendations
  • Record exact lot number, stock concentration, vehicle %, and plate map to ensure reproducibility.
  • Determine purity by orthogonal methods (HPLC-UV and LC–MS) before biological testing; impurities may confound results.
• No clinical or therapeutic claims are made. Any biological role must be established by the end user’s experiments.

Buffer Applications

This product is a small-molecule screening compound and is not itself a buffering agent.

• Item-specific
  • No buffer system or pKa data are provided; Not specified for this item; refer to CoA/Spec Sheet if available.
• Practical handling (general)
  • For biological assays, dissolve in DMSO and dilute into assay buffer maintaining a constant vehicle percentage (commonly 0.1–1.0% v/v DMSO).
  • Select assay buffers based on the biology (e.g., HEPES pH 7.4, Tris pH 7.5–8.0, PBS pH 7.2–7.4); include detergent (e.g., 0.01–0.05% Tween-20) to mitigate colloidal aggregation where appropriate.
• If the compound is titratable (unknown here), local pH and ionic strength can influence solubility and activity—perform a pH solubility scout before large experiments.

Green Alternatives

Without structural and property data for VPC-3033, solvent and process choices should follow general green-chemistry heuristics.

• General guidance
  • Prefer safer solvents for handling and waste minimization: water (if soluble), ethanol, ethyl acetate, 2-MeTHF, CPME, and propylene carbonate over chlorinated solvents and DMF/DMAc where feasible.
  • For stock solutions, DMSO is commonly acceptable in biological assays; consider glycerol or ethanol co-solvents for certain applications to reduce DMSO load.
  • Use microscale assays and miniaturization (384/1536-well formats) to reduce material and solvent usage.
• Example solvent comparison (general)
  • DMSO: broad solubility; high boiling point; good assay compatibility at low %.
  • 2-MeTHF/CPME: greener ethers for extractions or reactions; lower peroxide risk than THF/Et2O; check compound stability.
  • Ethyl acetate: low toxicity, biodegradable; good for workups and some crystallizations.
• Item-specific statement
  • No item-specific greener alternative or process substitution can be prescribed without the compound’s structure and use context. Consult your EHS/green-chemistry team alongside the CoA.

Pharmaceutical Uses

No pharmacopeial status or excipient/formulation role is provided for VPC-3033.

• Item-specific
  • Pharmaceutical/clinical use: None stated. For research use only.
• General guidance for researchers
  • If used in pre-formulation research, characterize solubility vs pH (kinetic and equilibrium), lipophilicity (logD at pH 7.4), and chemical stability (oxidation, hydrolysis, photolysis) to inform delivery strategies.
  • Salt/solid-form screening may improve stability or solubility when the structure contains ionizable groups; however, no structure is provided here.
• Regulatory note
  • Not intended for human or veterinary use. No therapeutic claims are made or implied.

Physical Properties

Key physicochemical properties are not provided in the current listing.

• Item-specific (from Product Data)
  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Literature/computed values for this exact CAS/compound
  • Not provided here. Obtain from the CoA/Spec Sheet or authoritative databases once the structure is confirmed.
• Typical screening-compound handling guidance (general)
  • Stock solutions are commonly prepared at 10–50 mM in anhydrous DMSO due to broad solubility among drug-like small molecules.
  • If solid: hygroscopicity and polymorphism may impact apparent solubility; verify by gravimetry and replicate dissolutions.
  • If liquid: record density from CoA to enable molarity-by-volume preparations.
• Do not treat the above as specifications. For this item, all numeric values such as melting point, boiling point, density, solubility, logP, pKa, and refractive index are: Not specified for this item; refer to CoA/Spec Sheet.

Quality & Grades

• Item-specific (from Product Data)
  • Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
  • Category: Small molecules and compound library (screening compound).
• How to interpret grades (general guidance)
  • Research Grade/Screening Grade: Intended for in vitro research, assay development, and medicinal chemistry workflows; may prioritize identity and assay-relevant purity (e.g., HPLC area %) over extensive trace-metal or residual-solvent profiling.
  • If HPLC/LC–MS trace is provided on CoA, review for single major component, baseline purity, and residual solvent profile.
  • UV/Fluorescence background: For optical assays, verify low intrinsic absorbance/fluorescence in the assay window by running solvent-only controls and titrations of the compound.
• Verification recommendations
  • Confirm identity by LC–MS and 1H NMR on receipt. If chiral, check enantiomeric ratio (e.r.) or diastereomeric ratio (d.r.) when available.
  • For SAR/HTS use, standardize lot-to-lot by normalizing to assay-ready concentration using exact potency-free mass (adjusting for salt form/solvate if listed on CoA).
• Stabilizers/inhibitors
  • Stabilizer content, if any, is Not specified for this item; refer to CoA/Spec Sheet.

Reaction & Applications

• Item-specific
  • Manufacturer Applications: Not specified in the listing. The compound is categorized within a small-molecule/compound library and is suitable for research use only.
• Typical applications for library compounds (general guidance)
  • High-throughput screening (HTS) and hit validation across biochemical, biophysical, and cell-based assays.
  • Structure–activity relationship (SAR) exploration: use as a reference chemotype or to seed analog design once structure is confirmed.
  • Target deconvolution workflows: apply chemoproteomic pull-downs or thermal shift assays provided the compound has suitable handles or binding properties.
  • Analytical reference standard: develop and validate LC–MS methods (retention time, fragmentation pattern) for pharmacokinetic or stability studies in vitro.
• Practical tips
  • Prepare concentrated DMSO stocks and aliquot to minimize freeze–thaw cycles and moisture ingress.
  • If stability is unknown, run a forced-degradation scout (aqueous pH 2/7/10, light, and 40–60°C) with LC–MS monitoring to detect labile motifs before extensive studies.
  • For orthogonal confirmation of activity, test across at least two assay formats (e.g., enzymatic vs thermal shift) and include interference controls (aggregator, redox cycling, fluorescence quench/emit tests) per literature best practices.
• Note: No specific reaction chemistry (as a reagent or substrate) can be recommended without structural information.

Reaction Conditions

No reaction chemistry is specified for VPC-3033.

• Item-specific
  • The compound is not provided with guidance for use as a reagent, catalyst, or substrate; no temperature, solvent, or catalyst recommendations are available.
• General recommendations (if employing in synthesis after structure disclosure)
  • Establish chemical stability windows by small-scale tests across common conditions (acid/base, oxidative, thermal, photolytic) before committing to multi-step sequences.
  • Use analytical scouts (TLC/UPLC) to assess compatibility with typical organic solvents and atmospheres (air vs inert). Monitor with LC–MS for decomposition or adduct formation.
• For this item specifically: All reaction conditions, expected yields, and procedures are Not specified for this item; refer to primary literature for the confirmed structure, or the CoA/Spec Sheet if provided.

Safety & Handling

Safety information specific to this item is not included in the current record. Always review the item’s SDS prior to use.

• Item-specific (from Product Data)
  • GHS classification: Not specified for this item; refer to SDS.
  • Signal word: Not specified for this item; refer to SDS.
  • Hazard statements (H-codes): Not specified for this item; refer to SDS.
  • Pictograms: Not specified for this item; refer to SDS.
  • Storage: Store at −20°C. Shipments are supplied cold (ice chest + ice pads).
• General laboratory precautions (general knowledge)
  • Wear appropriate PPE: lab coat, safety glasses, and nitrile gloves. Handle in a fume hood to avoid inhalation exposure.
  • Avoid contact with skin, eyes, and clothing. Wash thoroughly after handling.
  • Incompatibilities are structure-dependent; in absence of structure, segregate from strong oxidizers, strong acids/bases, and ignition sources as a precaution.
  • First aid (overview; defer to SDS for specifics): move to fresh air if inhaled; rinse skin/eyes with water for at least 15 minutes upon contact; seek medical attention if symptoms persist; if swallowed, rinse mouth and do not induce vomiting unless directed by medical personnel.
• Waste disposal
  • Collect organic waste and contaminated materials in properly labeled containers for disposal per institutional and regulatory guidelines.

Solvent Selection

Because no structural information is provided for VPC-3033, select solvents using a conservative, assay-friendly hierarchy and small-scale solubility screens.

• Item-specific
  • No solubility data are provided; plan a tiered solubility test.
• Practical approach (general guidance for screening compounds)
  • Primary stock solvent: anhydrous DMSO (commonly 10–50 mM). Warm gently (25–40°C) and vortex/sonicate to aid dissolution.
  • Secondary co-solvents for dilution: aqueous buffers with ≤1–2% DMSO, or 20–40% PEG400 or ethanol where biologically compatible.
  • Alternative organic solvents for preparative work: DMF, MeCN, MeOH/EtOH, 2-propanol, THF, ethyl acetate, dichloromethane, or toluene depending on lipophilicity and stability. Start small-scale to assess stability.
• Assay considerations
  • Maintain constant final DMSO percentage across wells/replicates (often 0.1–1.0% v/v) to avoid vehicle effects.
  • Filter or centrifuge stocks to remove particulates prior to biological or biophysical assays.
• Comparison notes (general)
  • DMSO vs DMF: DMSO is preferred for biological compatibility and lower volatility; DMF may dissolve certain highly lipophilic bases but is less assay-friendly.
  • MeCN vs MeOH: MeCN offers lower proticity and higher volatility (easier removal), MeOH is more benign but may engage in H-bonding and transesterifications with certain substrates.

Storage & Reconstitution

• Item-specific (from Product Data)
  • Storage conditions: Store at −20°C.
  • Shipping: Ice chest with ice pads to maintain a cold chain.
  • Physical form/appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Reconstitution guidance (general for small molecules)
  • Preferred stock solvent: anhydrous DMSO. Typical stock concentrations: 10–50 mM depending on solubility.
  • Allow container to equilibrate to room temperature in a desiccator before opening to prevent moisture condensation. Minimize exposure to ambient humidity.
  • If insoluble in DMSO at desired concentration, warm gently (≤40°C), vortex, and sonicate. Alternatively, prepare in DMF or add co-solvent (MeOH/EtOH) as compatible with downstream applications.
  • Sterile filtration (0.22 µm PTFE) may be used for assay stocks if compatible with solvent and compound.
• Aliquoting and stability (general)
  • Prepare single-use aliquots to avoid repeated freeze–thaw. Store aliquots tightly sealed at −20°C, protected from light if the compound is chromophoric (unknown here).
  • Track storage time and number of freeze–thaw cycles. Re-assess purity by LC–MS/HPLC after prolonged storage or if precipitation/discoloration is observed.
• Specifications reminder
  • Any item-specific stability data (light, air, moisture sensitivity) and exact solubility are Not specified for this item; refer to CoA/Spec Sheet.

Structure & Identity

Brief overview: VPC-3033 (SKU V1454263) is listed as a small-molecule screening compound. Structural identifiers are not provided in the current product record.

• Item-specific (from Product Data)
  • Product name: VPC-3033
  • SKU: V1454263
  • CAS: 110763-24-1
  • 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 guidance)
  • Without a structure, specific functional groups, ring systems, or stereochemistry cannot be detailed for this item. Consult the CoA/Spec Sheet or structure file (SDF/MOL) if supplied with your order.
• Practical notes
  • If using in cheminformatics or docking campaigns, request or generate a structure-confirmed record (SMILES/InChI) to avoid ambiguity across CAS registries.
  • For analytical confirmation, LC–MS and 1H/13C NMR against a reference spectrum are recommended once structure data are available.

Synthetic Utility

VPC-3033 is supplied as a small-molecule screening compound and is not presented as a synthetic reagent or building block in this listing.

• Item-specific
  • Functional groups and reactivity: Not specified for this item; refer to CoA/Spec Sheet.
• General commentary
  • Without a disclosed structure, no recommendations can be made regarding named reactions, coupling strategies, or protective-group compatibility.
  • If used as a reference standard or impurity marker, establish a robust analytical method (LC–MS/MS MRM transitions, retention window, purity threshold) and retain a reserve sample for method lifecycle management.
• Retrosynthetic planning
  • Should the structure be obtained, evaluate convergent routes that permit analog diversification for SAR (e.g., late-stage amide formation, Buchwald–Hartwig/Chan–Lam couplings, or heteroaryl cross-couplings), but these are purely general strategies and not specific to this item.

Target Specificity

No target or biological specificity information is provided for VPC-3033 in this listing.

• Item-specific
  • Target/Pathway/Enzyme: Not specified for this item; refer to supporting documentation if available.
  • Species reactivity, isotype/clone (for biologics): Not applicable.
• Guidance for users (general)
  • If a target is hypothesized, validate with orthogonal approaches (binding assays, CETSA/DSF, SPR/ITC, genetic perturbation) and run counter-screens to identify off-target or assay-interference effects.
  • Report exact assay conditions and controls to enable reproducibility across laboratories.