HG122 , CAS No.1854976-77-4

CAS: 1854976-77-4 Cat. No.: H1454277 Formula: C₁₅H₁₃N₅O₅ Peso molecolare: 343.29

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

HG122 promotes androgen receptor (AR) degradation through the proteasome pathway inhibiting the castration-resistant prostate cancer.

Specifications

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

• Peso molecolare: 343.29

Application Protocols

No tested applications or standardized protocols are provided in the Product Data for HG122.

General guidance for small-molecule screening (not item-specific)

• Stock solutions: Prepare 10–50 mM in dry DMSO; vortex, gently warm (≤40 °C), or sonicate briefly to aid dissolution. Filter if needed (0.22 μm PTFE/RC).
• Biochemical assays: Serially dilute in assay buffer to cover ≥8 concentrations around the expected potency; include vehicle controls and, when applicable, a known positive control. Keep final DMSO constant across wells.
• Cell-based assays: Check cytotoxicity of vehicle; typical final DMSO ≤0.1–0.5% v/v. Confirm compound stability in media (protein binding, precipitation) and protect from light if chromophoric.
• Data quality: Monitor for assay interference (intrinsic fluorescence/absorbance, redox activity, aggregation). Use counterscreens and orthogonal readouts to validate hits.

Biological Roles

Item-specific biological target(s), pathway associations, and mechanisms are not provided in the Product Data for HG122.

General considerations for small-molecule screening compounds (not item-specific)

• Potential roles: Depending on scaffold/chemotype, small molecules may act as enzyme inhibitors/activators, receptor ligands, ion channel modulators, or protein–protein interaction disruptors in research assays.
• Off-targets and liabilities: Aggregation, redox activity, metal chelation, fluorescence interference, and reactive functionality can confound readouts. Employ counterscreens (e.g., detergent sensitivity, redox/PAINS filters) and orthogonal assays to confirm activity.
• ADME-relevant factors: Lipophilicity, ionization state, and metabolic soft spots determine permeability and stability in cells or microsomes. Establish basic properties experimentally for hit validation.

Important: No medical or clinical claims are made. HG122 is supplied strictly for research use only.

Buffer Applications

This product is a small-molecule screening compound rather than a buffering agent. Accordingly, it is not typically used to prepare buffer systems.

Practical notes (general)

• When diluting DMSO stocks into assay buffers, pre-warm and add slowly with mixing to avoid precipitation. Maintain consistent final DMSO across controls and treated samples.
• Common assay buffers include HEPES, Tris, or phosphate-based systems selected for pH stability and minimal compound interaction; optimize ionic strength and additives (e.g., 0.01–0.05% nonionic surfactant) to reduce nonspecific binding or aggregation.

Green Alternatives

Green chemistry considerations are typically applied to solvent and process choices. As HG122 is a screening compound rather than a process reagent or solvent, greener alternatives are not directly applicable to the substance itself.

General, non–item-specific guidance

• Solvent choice: Favor water, bio-based solvents (e.g., 2-MeTHF, Cyrene), or EtOH/i-PrOH where compatible with assay and compound solubility. Minimize DMSO and DMF volumes where possible, and select low-toxicity, readily recoverable solvents for any preparative work.
• Resource efficiency: Use small-volume, high-throughput formats (e.g., 384- or 1536-well plates) to reduce solvent and plastic consumption during screening.
• Waste management: Segregate halogenated vs non-halogenated organic waste. Implement in-well quenching and microscale analytics to limit waste.

Trade-offs

• Greener solvents may alter solubility or assay readouts; validate assay performance (signal window, Z′) after changes in solvent composition.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing use is provided for HG122. This material is offered for research use only and is not intended for human or veterinary applications.

General context (not item-specific)

• Discovery research: Small molecules like this are commonly used in hit finding, SAR exploration, and in vitro characterization. If progression toward development is contemplated, new material with appropriate GMP controls and full regulatory documentation would be required.
• Formulation screening: Early pre-formulation experiments (solubility, pH/vehicle screening) can inform subsequent research, but such activities are outside the scope of this catalog item’s specifications.

Physical Properties

Item-specific physicochemical data are not provided in the Product Data and should be verified on the CoA/Spec Sheet.

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

General guidance (literature/practice, not item-specific)

• For small-molecule screening compounds, initial dissolution is commonly attempted in anhydrous DMSO to prepare concentrated stocks (e.g., 10–50 mM), followed by dilution into assay buffers/media with attention to final DMSO content (typically ≤0.5–1% v/v in biochemical assays and ≤0.1–0.5% in cell-based work, as tolerated).
• If crystallinity or poor DMSO solubility is encountered, co-solvents (DMF, ethanol), gentle warming (≤40 °C), or brief sonication can assist dissolution. Always filter sterilize through PTFE/RC membranes for biological assays when appropriate.
• Measure solubility empirically under intended assay conditions; compound ionization state, salt form, and counter-ions strongly influence solubility and stability.

Quality and Grades

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

How to interpret quality information (general guidance)

• Purity reporting: CoA typically lists HPLC/UPLC purity (area%), identity confirmation (NMR/MS), and water/volatile content (KF/LOD). When available, also review residual solvent profiles and counter-ion/salt form.
• Research-use materials: Designed for discovery research and screening; specifications emphasize chemical identity and assay-relevant purity rather than pharmacopeial compliance.
• Batch-to-batch consistency: For screening compounds, verify lot-specific purity and identity before critical studies. Retain aliquots and documentation for reproducibility.
• Stabilizers/additives: If any stabilizers are present, they will be declared on the CoA; absence of such a note should not be assumed—verify before use in sensitive assays (e.g., fluorescence, MS-based readouts).

Recommendations

• Prior to biological testing, confirm purity by orthogonal methods when feasible (e.g., LC–MS, qNMR). For structure-activity work, ensure salts/solvates are known and consistently used across experiments.

Reaction and Applications

This catalog item is positioned as a small-molecule library compound for research screening and is not primarily intended as a synthetic reagent. Consequently, classical reaction applications (e.g., as a catalyst, reagent, or solvent) are not typically applicable.

Practical research applications (general, not item-specific)

• Biochemical and cell-based screening: Evaluate activity in enzyme inhibition/activation, receptor modulation, or pathway perturbation in discovery assays. Use serial dilutions from DMSO stocks to build concentration–response curves.
• Target deconvolution workflows: If activity is observed, consider chemoproteomic pulldown (when derivatization is feasible), CRISPR interference/activation orthogonal validation, and structure-based modeling where a structure is available.
• ADME profiling: Measure solubility, permeability, microsomal stability, and plasma protein binding to inform follow-up studies.

Note: Without structural and known functional class information, do not assume reactivity patterns or named-reaction utility. For chemical synthesis purposes, consider purchasing the corresponding building block or known scaffold reagents with full specifications.

Reaction Conditions

Not applicable. HG122 is supplied as a screening compound rather than as a reagent or catalyst, and no reaction condition parameters (solvent, temperature, catalysts, or yields) are provided in the Product Data.

If employing HG122 in biological/biochemical assays (general, not item-specific)

• Stock preparation: Dissolve in dry DMSO at the highest feasible concentration supported by solubility and stability; aliquot and store at −20 °C.
• Assay dilution: Add to buffers or media with thorough mixing; maintain consistent vehicle percentage across all wells/controls. Verify stability across the assay time frame (e.g., 0–48 h) by LC–MS if critical.
• Light/air sensitivity precautions: When uncertain, handle under low light and minimize air/moisture exposure.

Safety and Handling

Safety data specific to HG122 are not provided in the Product Data. Always consult the Safety Data Sheet (SDS) for authoritative information.

Provided hazard fields (from Product Data)

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

General laboratory safety guidance (not item-specific)

• PPE: Wear lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Handle powders in a fume hood to minimize inhalation and exposure.
• Storage incompatibilities: Until specific functional groups are known, segregate from strong oxidizers, strong acids/bases, and ignition sources. Keep container tightly closed and protected from moisture and light as a precaution.
• First aid (overview): In case of skin contact, wash with soap and water. If inhaled, move to fresh air. For eye contact, rinse cautiously with water for several minutes. If swallowed or upon any adverse exposure, seek medical attention. Provide SDS to responders.
• Spill response: Avoid dust generation, ventilate area, collect with inert absorbent, and dispose of according to institutional and local regulations.
• Stability considerations: Absent structural details, treat as potentially sensitive to hydrolysis, oxidation, or photolysis; minimize air/moisture/light exposure. Do not heat above necessary temperatures during dissolution.

Note: For research use only; not for human or veterinary use.

Solvent Selection

Item-specific solubility is not provided; choose solvents empirically and document conditions.

General solvent strategy for small-molecule library compounds (not item-specific)

• Primary stock solvent: Anhydrous DMSO is the default due to broad solvating power and assay compatibility. Prepare concentrated stocks (e.g., 10–50 mM) and store at −20 °C in aliquots to minimize freeze–thaw.
• Alternate solvents: DMF (high solvency), ethanol or methanol (more volatile, assay-compatible at low %), or acetonitrile. For very lipophilic compounds, co-solvent systems (DMSO + PEG400, or DMSO + ethanol) may help; for basic/acidic compounds, buffered aqueous vehicles at adjusted pH can increase solubility.
• Aqueous work: Limit final DMSO to the tolerance of the assay system. Use surfactants (e.g., 0.01–0.05% Tween 80 or Pluronic F-127) cautiously to reduce aggregation without perturbing biology.
• Filtration: For sterility or particulate removal, use 0.22 μm PTFE/RC filters. Avoid nylon for strongly acidic/basic analytes that may bind.

Brief comparison (general)

• DMSO: Highest solvency; low volatility; hygroscopic; can affect cells above ~0.5–1%.
• Ethanol: Volatile; good for many organics; cytotoxic above ~1–2%.
• Acetonitrile: Miscible; volatile; often suitable for HPLC sample prep.
• DMF: Strong solvency; higher toxicity; reserve for challenging cases.

Storage and Reconstitution

Item-specific conditions provided

• Storage temperature: Store at −20 °C.
• Shipping: Shipped in an ice chest with ice pads to maintain low temperature during transit.

Additional best practices (general, not item-specific)

• Container: Keep tightly closed in the original amber vial or other light-protective container. Purge headspace with inert gas if stability is a concern.
• Stability: Absent structural data, assume potential sensitivity to light, moisture, and oxidation. Minimize freeze–thaw cycles by aliquoting upon first opening.
• Reconstitution: Dissolve in anhydrous DMSO to prepare a concentrated stock (e.g., 10–50 mM), then aliquot and store at −20 °C. Allow frozen aliquots to equilibrate to room temperature before opening to avoid moisture ingress; refreeze promptly after use.
• Aqueous use: Dilute DMSO stocks into pre-warmed buffer or media with vigorous mixing to prevent precipitation. Verify clarity and stability over the intended assay duration; if precipitation occurs, reduce concentration or adjust vehicle composition.
• Documentation: Record lot number, preparation date, solvent, and stock concentration. Reassess by LC–MS/HPLC after prolonged storage or if activity drifts.

For research use only.

Structure and Identity

Brief overview: HG122 (SKU H1454277) is listed in our small-molecule and compound library category. Specific structural identifiers are not provided in the Product Data.

• Chemical name: Not specified for this item; refer to CoA/Spec Sheet.
• CAS: 1854976-77-4
• 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 description (general): Not specified for this item; refer to CoA/Spec Sheet. Without a structure, functional groups, ring systems, heteroatoms, and stereochemistry cannot be detailed.

Notes

• Identity confirmation for this catalog item should be based on the accompanying Certificate of Analysis (CoA) and spectral data, where available (e.g., 1H/13C NMR, HRMS, HPLC/UPLC purity).

Synthetic Utility

Specific functional groups and reactivity for HG122 are not provided in the Product Data; therefore, this item is not presented as a general synthetic reagent or building block.

General guidance (not item-specific)

• If derivatization is desired for probe development (e.g., biotinylation, photoaffinity tagging), obtain or determine the structure first and evaluate sites tolerant to modification using SAR or docking models.
• For libraries, parallel synthesis or late-stage diversification typically relies on known handles (anilines, phenols, halides, boronates). In the absence of structural information, such strategies cannot be recommended for this item.

Target Specificity

No target, pathway, or mechanism-of-action information is provided for HG122 in the Product Data.

• Target(s): Not specified for this item; refer to CoA/Spec Sheet or primary literature if available.
• Species selectivity: Not specified for this item; refer to CoA/Spec Sheet.
• Assay-validated applications: Not specified for this item; refer to CoA/Spec Sheet.

Note: Any target specificity claims should be supported by primary data and/or peer-reviewed references. In the absence of such information, treat observed activities as provisional and confirm with orthogonal assays.