DEG-77 - ≥98% , CAS No.3032265-06-5

CAS: 3032265-06-5 Cat. No.: D1426645 Summenformel: C₂₄H₂₁N₃O₆ Molekulargewicht: 447.44

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

DEG-77, a IKZF2 and CK1α targeted molecular glue , possesses suitable pharmacokinetic properties, solubility, and selectivity for in vivo studies (t 1/2 =8h).

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Molekulargewicht

447.44

Application Protocols

Item-specific protocols

• None provided for this product. No validated dilutions, assay types, or reference controls are specified.

General screening workflow (for development; not item-specific)

• Prepare a concentrated DMSO stock (e.g., 10–50 mM) if soluble. Aliquot to minimize freeze–thaw. Record exact concentration and solvent lot.
• Plate setup: Use randomized layouts with interleaved controls. Keep a constant final solvent percentage across all wells. Target Z’ ≥ 0.5 in primary screens.
• Dose–response: 8–12 point serial dilutions (1:3 or 1:2). Include vehicle controls each row/column. Confirm with independent replicate runs.
• Artifact controls: For fluorescence assays, check inner-filter effects and autofluorescence. Include detergent to mitigate aggregation where compatible.
• Data handling: Fit curves with appropriate models (four-parameter logistic), exclude outliers only with predefined rules, and archive raw/processed data in LIMS.

Note: Develop assay-specific SOPs and defer to your institutional QA for validation. This guidance is general and not item-specific.

Biological Roles

Item-specific information

• No target, pathway, or MoA information is provided for DEG-77. Biological roles are not specified for this item; refer to CoA/Spec Sheet or internal screening results.

General considerations for library members

• Coded screening compounds are often target-agnostic at acquisition. Biological roles, if any, are established empirically through phenotypic or target-based assays followed by orthogonal confirmation.
• Potential interactions span enzymes, receptors, transporters, and nucleic acid-binding pathways, but no specificity can be inferred in the absence of structural/assay data.

Practical guidance

• If activity is observed, map it to pathways using annotated panels and transcriptomic/proteomic readouts where appropriate. Validate with concentration–response, time-course, and washout experiments to distinguish on-target effects from nonspecific toxicity.
• Assess common liability profiles early: redox cycling, aggregation-based inhibition (check with nonionic detergents), covalent reactivity (time-dependence), and spectroscopic interference (inner-filter, autofluorescence).

Documentation

• Capture all findings in LIMS/ELN, linking DEG-77’s CAS and lot to assay outcomes and any follow-up SAR or chemoproteomics. No clinical or therapeutic claims are made; this product is for research use only.

Buffer Applications

Not typically applicable

• DEG-77 is a small organic screening compound rather than a buffering agent. No buffer system, pKa, or pH range is provided for this item.

Practical note (general)

• When using DEG-77 in assays, select buffers based on the biology (e.g., PBS, HEPES, Tris) and ensure consistent final organic solvent content across controls and treatments. If the compound is later found to be ionizable, buffer pH may influence apparent potency and solubility; optimize pH accordingly.

Green Alternatives

Applicability note

• DEG-77 is a small-molecule screening compound, not a process solvent. “Green alternatives” therefore focus on greener handling and assay media choices rather than substituting the compound itself.

Greener handling strategies (general)

• Minimize DMSO burden: Use the lowest effective final DMSO concentration (often ≤0.3–0.5% v/v) consistent with solubility. Validate assay tolerance to reduced organic content.
• Prefer greener co-solvents when feasible: Ethanol or 2-propanol (with careful control of cytotoxicity/volatility) may be preferable to aprotic polar solvents. Verify biological compatibility.
• Solvent economy: Centralize stock solutions, avoid redundant aliquots, and adopt plate maps that reduce dead volumes. Employ acoustic dispensing to cut waste and improve precision.
• Waste reduction: Consolidate solvent waste streams, employ microtiter formats (384/1536) to reduce volumes, and consider in-plate dry-down only if the analyte is stable and re-dissolves reliably.
• Energy and cold-chain: Store at 2–8°C per product guidance; avoid unnecessary ultra-cold storage. Batch-sort shipments to reduce packaging. Reuse cold packs and secondary containment where quality systems permit.

Trade-offs

• Lowering DMSO may increase precipitation risk; counter with modest temperature control, brief sonication, or small surfactant additions compatible with the biology. Always balance green objectives against data quality and assay robustness.

Pharmaceutical Uses

Not specified for this item; for research use only

• No pharmacopeial status, excipient role, or manufacturing use is provided for DEG-77. This product is supplied for non-clinical research applications only.

General discovery context

• If DEG-77 yields promising biological data, it may serve as a hit/lead starting point for medicinal chemistry optimization. Any consideration for pharmaceutical development would require extensive additional data (purity profile, solid form, stability, synthetic route, impurity fate, safety/tox) beyond the scope of this catalog listing.

Physical Properties

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.

Literature/computed (general guidance; not item-specific)

• For undisclosed library members, key physical properties (mp/bp, logP/logD, pKa, polar surface area, solubility profile, refractive index) are determined from structure or experiment. As no structure is provided here, these values cannot be reported.

Practical considerations for unknown small molecules (general knowledge)

• Solubility screening: Begin with DMSO to prepare concentrated stocks (e.g., 10–50 mM), then test aqueous dilution into assay buffers with 0.1–1% final DMSO. If hazing/precipitation occurs, explore co-solvents (DMF, ethanol) or formulation aids (0.01–0.05% nonionic surfactant) as permitted by the assay.
• Ionizable compounds: If a pKa is later disclosed, solubility can often be increased by adjusting pH ≥1–2 units beyond pKa for bases (acidic media) or acids (basic media).
• Solid vs liquid handling: If melting point is low, treat as an oil; use chilled tools or pre-dissolve in a minimal solvent before aliquoting.

What to record once data are available

• mp/bp (°C), density (g/mL), refractive index (if liquid), UV–Vis profile (for assay interference checks), and water/solvent solubility limits at relevant temperatures. Until then: Not specified for this item; refer to CoA/Spec Sheet.

Quality and Grades

Item-specific status (from Product Data)

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

How to interpret grade/purity for screening compounds (general guidance)

• Discovery-grade small molecules are typically provided at a defined purity threshold by HPLC/UPLC (commonly ≥95% area by UV at multiple wavelengths). Some libraries specify orthogonal identity confirmation (LC–MS, 1H NMR). Because this item’s specific grade is not provided, consult the CoA for analytical methods, chromatographic purity, and acceptance criteria.
• Water content, residual solvent profile, and counter-ion/stoichiometry (for salts) may affect assay performance. If critical, request Karl Fischer and residual solvent data. Do not assume specifications in the absence of documentation.

Stabilizers and form

• Stabilizers, salt form, and hydrate state are not specified for this item; refer to CoA/Spec Sheet. If photolabile or air-sensitive characteristics are later disclosed, expect amber packaging, inert gas backfill, or desiccation.

Fit-for-purpose qualification

• For HTS/HCS: verify identity/purity on receipt (spot-check LC–MS) and perform solubility/precipitation checks at intended assay conditions.
• For SAR/lead optimization: acquire or generate full analytical characterization (1H/13C NMR, HRMS, purity across UV range, and, where applicable, chiral purity). Establish stability-indicating LC methods to monitor degradation during storage/handling.

Documentation

• Retain lot-specific CoA and any supplier spec sheet in your ELN/LIMS. If your workflow requires “HPLC grade,” “bioassay grade,” or similar, confirm exact definitions with the supplier; these terms are not standardized across vendors.

Reaction and Applications

Item-specific applications (from Product Data)

• Manufacturer applications: Not provided in the catalog entry.

Research-use context for DEG-77 (general, non-clinical)

• DEG-77 is positioned as a small-molecule library member for discovery workflows (HTS, fragment/compound screening, or probe development). Without a disclosed structure, synthetic reactivity guidance is not applicable; instead, focus on assay deployment and data quality.

Typical discovery applications

• Primary screening: Evaluate activity in biochemical or cell-based assays. Use plate maps with interleaved controls (positive/negative), randomized well positions to mitigate edge effects, and matched final solvent percentages.
• Concentration–response: Generate 8–12 point curves (e.g., 1:3 serial dilutions) to obtain IC50/EC50/pIC50 and Hill slopes. Incorporate neutral and vehicle controls in every plate.
• Orthogonal/counterscreens: Rule out assay-format artifacts (e.g., fluorescence quenching, reporter interference, redox cycling) using detection-mode changes or alternative readouts.
• Selectivity panels: If activity is observed, test across related targets (e.g., isoforms/family members) and ADME/T in vitro (solubility, stability, permeability, protein binding) as appropriate.

Data integrity practices

• Apply PAINS/REOS filters once structure is available; follow up with confirmatory analytics (LC–MS purity, UV profile). Track lot-to-lot consistency.

Deliverables for hits

• Define a progression package: reconfirmed potency, preliminary MoA hypothesis, basic DMPK flags, and chemical liabilities. Document all with raw data, plate QC metrics (Z’), and analytics. All uses are for research only; no diagnostic or clinical use.

Reaction Conditions

Not applicable with current information

• Reaction conditions (solvents, catalysts, temperatures, and yields) are not relevant without a disclosed structure and intended transformation. This product is positioned for screening rather than synthesis.

Assay deployment conditions (general)

• Stock preparation: Commonly 10–50 mM in DMSO; filter-sterilize only if compatible and necessary. Avoid adsorption losses with low-bind plastics or glass.
• Dosing: Maintain constant final DMSO (e.g., 0.1–0.5%) across control and treated wells. Use randomized plate layouts and include vehicle controls.
• Stability checks: Inspect for color change/precipitation upon dilution; confirm integrity with quick LC–MS when critical to decisions.

Safety and Handling

Item-specific hazards (from Product Data)

• Signal word: Not specified for this item; refer to SDS.
• GHS hazard statements/classification: Not specified for this item; refer to SDS.
• Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (always defer to SDS)

• Handle as a potentially hazardous small molecule. Avoid inhalation, ingestion, and skin/eye contact. Use lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Work in a certified chemical fume hood when weighing or preparing solutions.
• If using DMSO or DMF as solvents, note they enhance dermal absorption of solutes; prevent skin contact with solutions.
• Incompatibilities: Without structure, assume generic incompatibilities — strong oxidizers/reducers, strong acids/bases, and reactive metals until proven otherwise. Avoid aerosol generation and dust.

First-aid overview (consult SDS for specifics)

• Skin/eyes: Rinse with water for at least 15 minutes; remove contaminated clothing; seek medical attention if irritation persists.
• Inhalation: Move to fresh air; monitor for respiratory distress; obtain medical advice.
• Ingestion: Rinse mouth; do not induce vomiting unless directed by medical personnel; seek immediate medical attention.

Fire and spill response

• Use CO2, dry chemical, or foam extinguishers as appropriate for solvent fires. For small spills, absorb with inert material and dispose of per institutional hazardous waste procedures. Prevent environmental release.

Training and documentation

• Review the product SDS and institutional CHP prior to use. Maintain up-to-date risk assessments for screening compounds whose hazards may be incompletely characterized.

Solvent Selection

Item-specific status

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

General guidance for small-molecule screening stocks (literature/general)

• Primary solvent: DMSO is the default due to broad solubilizing power and assay compatibility at ≤0.5–1% v/v. Prepare concentrated stocks (e.g., 10–50 mM) when solubility permits.
• Secondary options: If DMSO is unsuitable, consider DMF, NMP, ethanol, or isopropanol (verify assay tolerance). For aqueous use, co-solvent systems (e.g., 10–30% DMSO or EtOH in buffer) or pH adjustment can help dissolve ionizable compounds.
• Buffers for dilution: PBS, HBSS, HEPES, or assay-specific media; maintain a consistent final organic solvent fraction across control and test wells.

Practical decision points

• If precipitation occurs upon dilution: lower stock concentration, warm gently (≤37°C), sonicate briefly, or include a minimal nonionic surfactant (e.g., 0.01–0.05% Tween-20/Pluronic F-68) if biologically compatible.
• Light/air sensitivity: If later indicated, perform dilutions under low light and inert atmosphere; use amber microplates and minimize headspace.
• Adsorption losses: Hydrophobic/neutral compounds may adsorb to plastics; pre-rinse tips/tubes with dosing solution or use low-bind plastics and glass where permissible.

Comparison snapshot (general)

• DMSO: broad solubility, low volatility, but can affect cells/enzymes above ~1% v/v.
• Ethanol: volatile, cytotoxic above ~1–2% v/v, flammable; easier evaporation for dry-down.
• DMF/NMP: strong solvents; check biocompatibility and regulatory constraints for screening environments.

Record-keeping

• Document solvent lot, stock concentration, pH (if aqueous), and any observed precipitation or color change during assay setup.

Storage and Reconstitution

Item-specific instructions (from Product Data)

• Storage conditions: Store at 2–8°C.
• Shipped in: Wet ice.

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

• Exact solid form (free base/salt/hydrate), stabilizers, solution stability, and recommended stock solvent/concentration are not specified.

General best practices (not item-specific)

• Upon receipt: Allow container to equilibrate to room temperature in a desiccator before opening to avoid condensation. Inspect for integrity and any visible changes.
• Aliquoting: If supplied as a solid, prepare small single-use aliquots to minimize repeated exposure to air and moisture. If supplied in solution, confirm concentration and make sub-aliquots in inert, amber vials if light sensitivity is suspected.
• Stock solutions: When appropriate, dissolve in dry DMSO to 10–50 mM; record exact concentration. Filter only if necessary and compatible. Avoid water uptake for hygroscopic materials.
• Freeze–thaw: Even though storage is 2–8°C, frozen aliquots of DMSO stocks (e.g., at −20°C) may extend stability; avoid repeated freeze–thaw by using single-use aliquots.
• Stability monitoring: Periodically check by LC–MS/HPLC for degradation, especially after several weeks/months or if potency drifts in assays.

Disposal

• Dispose of unused material and solutions as hazardous chemical waste in accordance with institutional and local regulations.

Structure and Identity

Item-specific facts (from Product Data)

• Product Name: DEG-77 (catalog screening compound)
• SKU: D1426645
• CAS: 3032265-06-5
• Category: Small molecule/compound library (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.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

General notes

• DEG-77 appears to be a coded small molecule entity intended for screening in discovery workflows. Without a disclosed structure, detailed functional-group analysis, ring systems, or stereochemical description cannot be provided.
• Identity for screening compounds is typically supported by supplier CoA/SDS and may include analytical identifiers (e.g., LC–MS retention/mass, 1H NMR) — consult this product’s CoA when available.

How to reference chemically when structure is undisclosed

• Use the CAS number (3032265-06-5) and catalog code (DEG-77) in lab notebooks, ELNs, and screening databases.
• If your internal systems require a structure to register, create a placeholder entry keyed to CAS and supplier lot until structural information is disclosed via CoA or MTA.

2D structure description

• Not available due to undisclosed SMILES/InChI. When provided, include functional groups, heteroatoms, aromatic vs aliphatic regions, HBD/HBA counts, and any stereogenic centers for rapid SAR annotation.

Synthetic Utility

Not applicable with current information

• DEG-77 is provided as a screening compound with undisclosed structure; no functional-group or reactivity guidance can be offered.

General note

• If the structure becomes available, synthetic utility could be described in terms of retrons, diversification handles (halides, boronates, amines, acids), and compatibility with cross-couplings, amide couplings, or heterocycle manipulations. Until then: Not specified for this item; refer to CoA/Spec Sheet.

Target Specificity

Item-specific data

• No target, epitope, or specificity information is provided for DEG-77. This section typically applies to biologics/antibodies and is not applicable to an undisclosed small-molecule library member.

Guidance

• Establish any target specificity empirically via binding assays, activity assays, and selectivity panels once preliminary activity is observed.