KDRLKZ-1 , CAS No.K1449737

CAS: K1449737 Cat. No.: K1449737 Formula: C₂₃H₂₉N₃O₇ Peso molecolare: 459.49

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

KDRLKZ-1 is a KLHDC2 ligand ( K d = 0.36 μM), with IC 50 s of 0.21 μM and 0.31 μM in alphaLISA and time-resolved fluorescence resonance energy transfer (TR-FRET) displacement assays.

Specifiche

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

459.49

Application Protocols

No item-specific validated protocols are provided in the product data. The following general workflows support use of small-molecule screening compounds in discovery assays.

• Preparing DMSO stocks:
  • Allow vial to equilibrate to room temperature in a desiccator before opening. Weigh desired quantity quickly to minimize moisture uptake (if hygroscopicity is unknown, proceed cautiously).
  • Dissolve to 10–50 mM in anhydrous DMSO. Vortex/sonicate; warm gently (≤37°C) as needed. Inspect for particulates; centrifuge or filter if necessary.
  • Aliquot into low-bind, amber vials or plates; flush with inert gas if air-sensitive behavior is suspected. Store at -20°C.
• Serial dilutions and assay setup:
  • Prepare serial dilutions in DMSO or assay-compatible co-solvent to create intermediate plates. Back-dilute into assay buffer to achieve final concentrations with constant vehicle.
  • Verify absence of precipitation visually and, if possible, by plate-based UV/visible scan.
• Orthogonal confirmation:
  • Repeat hits in an independent assay format or detection modality. Include detergent controls for aggregation-prone responses.
• Analytical verification:
  • Confirm identity and purity of the working lot by LC/LC–MS before and after key studies.

These procedures are offered as general research guidance; adapt to your assay biology and institutional SOPs.

Biological Roles

Item-specific biological targets, pathways, or modes of action for KDRLKZ-1 are not disclosed in the product data.

Context and best practices for screening compounds:

• Putative role: As a library member, KDRLKZ-1 is suitable for exploratory discovery—identifying potential modulators of enzymes, receptors, transporters, or protein–protein interactions in biochemical or cellular systems.
• Assay design considerations:
  • Establish a vehicle control matched to the stock solvent (commonly DMSO) at identical final percentages.
  • Include positive and negative controls to set assay windows and Z′-factors; verify that KDRLKZ-1 does not interfere with assay readouts (e.g., intrinsic fluorescence/absorbance, redox activity, luciferase inhibition).
  • Evaluate time-dependence and reversibility to differentiate covalent/irreversible effects from reversible binding, if relevant once structure is known.
• Follow-up characterization:
  • If activity is observed, confirm by orthogonal methods (e.g., biochemical vs. biophysical: SPR, DSF, MST) to mitigate technology-specific artifacts.
  • Conduct initial ADME-relevant checks (permeability surrogates, microsomal stability) only after identity and purity are reconfirmed for the tested lot.
• Data integrity:
  • Track plate maps and barcodes; record batch/lot, concentration series, and dilution history. Maintain aliquots for re-test under identical conditions.

No clinical or therapeutic claims are made. Use is restricted to laboratory research.

Buffer Applications

KDRLKZ-1 is a small-molecule screening compound, not a buffering agent. Conventional buffer systems (e.g., phosphate, HEPES, Tris) are selected based on the biological assay, not the compound itself.

Practical notes when formulating assay buffers around small-molecule stocks:

• Vehicle management: Maintain a constant final percentage of the stock solvent (often DMSO) across all wells, including controls, to isolate compound effects from solvent effects.
• Detergents: Include low non-ionic detergent (e.g., 0.01–0.05% Tween-20 or Triton X-100) to mitigate colloidal aggregation artifacts, when compatible with the assay.
• Protein binding: For highly lipophilic compounds (unknown here), consider carrier protein (e.g., 0.1% BSA) to reduce nonspecific adsorption to plastics; verify no impact on assay signal.
• pH and ionic strength: Optimize for the target biology; avoid extreme pH that could degrade unknown chemotypes. Keep buffers freshly prepared and filter-sterilized.

Item-specific buffer-related properties (pKa, stability vs. pH/ions) are not available for this product.

Green Alternatives

Without structural information, specific greener substitutes cannot be designated; however, greener practices can be applied to how KDRLKZ-1 is handled in screening and analytical workflows.

• Solvent choices for stock preparation and assays:
  • Prefer ethanol or isopropanol as co-solvents where compatible with solubility and biology; retain DMSO at minimal final concentrations (≤0.5–1% v/v) to reduce environmental and biological burden.
  • Avoid high-toxicity dipolar aprotics (DMF, NMP) when not strictly necessary; if used, confine to small-volume stock solutions and segregate waste.
• Miniaturization and waste reduction:
  • Adopt low-volume assay formats (384/1536-well) with acoustic or low-dead-volume dispensing to cut solvent and compound use.
  • Use on-plate serial dilutions to minimize plasticware and solvent waste.
• Energy and storage:
  • Consolidate shipments and leverage cold-chain planning already provided (ice chest + ice pads) to avoid re-shipments.
  • Store at -20°C as specified; use energy-efficient freezers and maintain organized inventory to reduce door-open time and product loss.
• Analytical methods:
  • Opt for UPLC with shorter columns and aqueous-rich mobile phases when chromatographically compatible, reducing acetonitrile consumption.
  • Recover and recycle suitable HPLC solvents via distillation or outsource to approved reclamation services.

Tradeoffs: DMSO remains a practical standard for diverse libraries due to solvency; replacing it fully may compromise solubility or data quality. Balance greenness with data integrity and validate any solvent changes in pilot tests.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation use is specified for KDRLKZ-1. This product is supplied strictly for laboratory research and screening.

General considerations for pre-formulation style studies on screening hits (if KDRLKZ-1 shows activity and structure becomes available):

• Solubility profiling across biorelevant media (FaSSIF/FeSSIF simulants) to anticipate developability. This is not implied for this item, only general guidance.
• Solid-state assessment (polymorph/solvate/hydrate) to understand stability and handling; not specified for this item.
• Early risk flags: chemical stability (oxidation, hydrolysis), photolability, and potential reactivity with excipients. Confirm experimentally; no item-specific data are provided here.

No therapeutic or clinical claims are made. Not for human or veterinary use. For any consideration beyond discovery research, obtain full structural disclosure, complete analytical characterization, and follow institutional governance.

Physical Properties

Item-specific physico-chemical data are not provided in the product data for KDRLKZ-1.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point / Boiling point: Not specified for this item; refer to CoA/Spec Sheet.
• Density / Refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility profile (water/organic): Not specified for this item; refer to CoA/Spec Sheet.
• pKa / logP / logD: Not specified for this item; refer to CoA/Spec Sheet.
• UV-Vis characteristics: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature-level, for small-molecule screening compounds):

• Many screening compounds are supplied as solids suitable for DMSO stock preparation (e.g., 10–50 mM). Actual solubility can vary widely depending on heteroatom count, ionizable groups, and polarity.
• If the structure is available, in silico estimates of cLogP, pKa, and aqueous solubility can quickly inform solvent choice and assay compatibility. Validate with a small-scale solubility test (turbidity or HPLC-based).
• For UV detection assays, ensure the compound does not strongly absorb at assay wavelengths; record a blank spectrum in the intended buffer/solvent mixture.
• Hygroscopic or deliquescent behavior, if any, should be confirmed from the CoA before weighing. When uncertain, equilibrate to room temperature in a desiccator prior to opening to minimize moisture uptake.

Quality and Grades

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

Interpretation and guidance:

• Library/HTS compounds are typically quality-controlled by LC or LC-MS to confirm identity and purity. However, acceptance criteria vary by supplier and by intended use (e.g., initial screening vs. hit validation). In the absence of item-specific specs, it is prudent to verify purity and identity in-house prior to critical assays.
• Recommended incoming QC for screening use:
  • LC or UPLC with UV and, if available, MS detection to confirm single major peak and m/z.
  • Record exact solvent system and gradient to facilitate future comparability.
  • If the structure becomes available, 1H NMR (and 13C NMR as needed) can confirm identity and assess counter-ions/solvates.
  • Water content (KF) and residual solvent analysis are advisable for hygroscopic or solvent-sensitive chemotypes; item-specific targets are not provided here.
• UV cut-off, trace metal limits, and specific impurity caps are not specified for this item. For chromatographic or photophysical studies, determine background absorbance of the supplied lot before use.
• If your application requires a defined threshold (e.g., ≥95% purity by HPLC), request or specify this at order and confirm on receipt.

Reaction and Applications

This product is positioned as a small-molecule/compound library member for research screening. Synthetic reaction guidance is not applicable without a disclosed structure. Instead, typical applications involve discovery workflows:

• High-throughput screening (HTS) and fragment-to-lead style evaluations in biochemical or cell-based assays to identify modulators of enzymatic activity, protein–protein interactions, channels, or receptors.
• Counter-screening and orthogonal assay confirmation to eliminate false positives (e.g., detergent-containing assays to identify aggregators; redox- or fluorescence-interference controls).
• Physicochemical triage:
  • Solubility and stability checks in the intended assay matrix.
  • Detection of pan-assay interference (PAINS)-like motifs if/when structure is disclosed; complement with colloidal aggregation assays (e.g., detergent sensitivity, dynamic light scattering).
• Analytical support:
  • LC/UPLC methods for quantifying compound carryover and assessing stability over assay time.
  • MS-based confirmation of intact mass and monitoring for decomposition/oxidation products under assay conditions.
• Hit-handling best practices:
  • Maintain aliquoted DMSO stocks to minimize freeze–thaw.
  • Re-purchase or re-synthesize and re-characterize hits prior to SAR exploration.

If the compound is intended as a synthetic building block, request structural disclosure; otherwise, treat KDRLKZ-1 as a screening entity rather than a reagent in named reactions.

Reaction Conditions

Reaction conditions are not applicable to KDRLKZ-1 in the absence of structural disclosure and a defined synthetic role. No catalysts, temperatures, or solvent regimes can be responsibly recommended for chemical transformations of this item.

Assay-related “conditions” for screening use (general guidance):

• Stock solutions: Prepare in dry, anhydrous DMSO at 10–50 mM if soluble. Document concentration by gravimetric preparation or quantitative NMR (qNMR) when high accuracy is required.
• Working concentrations: Typical primary screens use 1–50 µM final compound concentrations, keeping vehicle constant across all wells. Validate assay window and absence of precipitation.
• Temperature and light: Conduct assays at the temperature required by biology (room temperature or 37°C typical). Use amberware or subdued light if compound photostability is unknown.
• Controls: Include vehicle-only, positive control (known active), and negative control. For redox or fluorescence assays, add interference controls.
• Stability: Monitor test article stability over assay duration by LC (pre- and post-assay samples). If instability is observed, consider on-ice staging and rapid dispensing.

These are general, literature-level recommendations for small-molecule screening and are not item-specific specifications.

Safety and Handling

Hazard classification for this specific item is not provided in the product data. Always consult the SDS for authoritative information.

• GHS classification, signal word, pictograms, and H-statements: Not specified for this item; refer to SDS.
• Primary hazards (general for research small molecules): Unknown acute/chronic toxicity; possible skin/eye/respiratory irritation; specific organ toxicity cannot be excluded without SDS.
• PPE: Use a lab coat, safety glasses or face shield, and suitable chemical-resistant gloves (e.g., nitrile). Avoid skin contact and inhalation of dust/fumes/aerosols.
• Engineering controls: Handle inside a certified chemical fume hood. Use closed containers and minimize dust generation. For DMSO stocks, prevent aerosolization during pipetting.
• Storage incompatibilities: Until the structure is known, avoid strong oxidizers/reducers and moisture/air exposure. Keep container tightly closed in a desiccator or dry cabinet as prudent practice.
• First aid (overview; defer to SDS):
  • Inhalation: Move to fresh air; seek medical advice if symptoms persist.
  • Skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing; obtain medical attention if irritation persists.
  • Ingestion: Rinse mouth; do not induce vomiting unless directed by medical personnel; seek medical attention.
• Spill/accident response: Absorb spills with inert material (e.g., vermiculite), collect for disposal. Prevent release to drains. Decontaminate area with suitable solvent/detergent.
• Waste: Dispose of in accordance with institutional, regional, and national regulations. Keep halogenated and non-halogenated waste streams separate when applicable.
• Shipping/transport: Shipped on ice packs in an ice chest as provided. Verify that any additional temperature control is maintained upon receipt.

Solvent Selection

With no disclosed structure, solvent choice should be guided empirically and by general best practices for small-molecule screening.

• Primary stock solvent: Dimethyl sulfoxide (DMSO) is commonly preferred for library members due to broad solvating power and biological assay compatibility at low final percentages (≤0.5–1% v/v). Prepare concentrated stocks (e.g., 10–50 mM) as solubility permits.
• Alternative solvents when DMSO is unsuitable:
  • DMF or NMP (strong polar aprotic; consider cytotoxicity at low % in assays).
  • Ethanol or isopropanol (more benign for cells but lower solvency for very nonpolar chemotypes).
  • Aqueous buffers with co-solvent and/or pH adjustment if the compound is ionizable (only if structure becomes available to justify pH selection).
• Miscibility and compatibility:
  • DMSO mixes with water and most polar organics; limit final DMSO in biochemical/cell assays to avoid vehicle effects.
  • Avoid high-water environments for water-insoluble compounds to prevent precipitation in assay wells—verify visually and by LC.
• Practical workflow:
  • Begin with a small solubility screen (DMSO, DMF, EtOH; 10–20 mg/mL targets). Sonication and gentle warming (≤37°C) can assist dissolution.
  • Filter or centrifuge to remove undissolved solids before preparing dilutions.
  • For light- or air-sensitive scaffolds (unknown here), use amber vials and inert gas headspace until confirmed stable.
• Documentation: Record exact solvent, concentration, and observed stability/precipitation behavior for reproducibility.

Storage and Reconstitution

• Storage conditions (as provided): Store at -20°C.
• Shipping: Ice chest with ice pads.
• Appearance and reconstitution solvent: Not specified for this item; refer to CoA/Spec Sheet. In practice, many screening compounds are reconstituted in anhydrous DMSO.

Best practices for handling and long-term stability (general guidance for small molecules):

• On receipt: Inspect packaging and temperature indicators. Allow the container to equilibrate to room temperature in a desiccator before opening to reduce condensation.
• Aliquoting: Prepare small, single-use aliquots of concentrated stock (e.g., 10–50 mM in DMSO) to avoid repeated freeze–thaw cycles that can accelerate degradation.
• Freeze–thaw: Minimize cycles. Thaw aliquots at room temperature; mix thoroughly before use. Do not refreeze partially thawed bulk containers.
• Light and air sensitivity: If sensitivity is unknown, store in amber vials with minimal headspace; consider an inert gas overlay. Record any observed discoloration or precipitation over time.
• Stability checks: Periodically assess stock integrity by LC/LC–MS (and UV where relevant). Replace stocks that show new peaks or potency drift in control assays.
• Short-term storage during use: Keep working plates/vials on ice or at 4°C if compatible with the assay to limit decomposition; return unused aliquots promptly to -20°C.

All recommendations are for laboratory research use only. For definitive, lot-specific instructions, consult the CoA and SDS.

Structure and Identity

• Item name: KDRLKZ-1 (SKU: K1449737)
• Category: Small-molecule screening/compound library member
• CAS: K1449737 (catalog identifier; not a registered CAS)
• 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: Not specified for this item; refer to CoA/Spec Sheet.

Interpretive notes (general):

• As a library member with undisclosed structure, the specific functional groups, ring systems, stereochemistry, and heteroatom content are not provided here. For any structure-dependent decisions (e.g., solubility prediction, liability flags, or computational docking), request the structure/SD file and certificate of analysis (CoA) from Aladdin Scientific.
• If the structure is later disclosed, provide a 2D description noting key features (aromatic/heteroaromatic cores, H-bond donors/acceptors, ionizable centers, stereocenters) to guide handling and assay setup.

Synthetic Utility

KDRLKZ-1 is offered as a screening compound with undisclosed structure; therefore, specific synthetic transformations, functional group interconversions, or role as a building block cannot be described for this item.

General notes (applicable only if structure becomes available and compound is to be repurposed as a reagent):

• Functional group leverage: Identify nucleophilic/electrophilic handles (e.g., halides, boronates, amines, acids) to enable cross-couplings (Suzuki, Buchwald–Hartwig), amidations, or click reactions.
• Protecting-group strategy: If multiple reactive sites exist, plan orthogonal protection to enable selective derivatization for SAR exploration.
• Stability considerations: Evaluate sensitivity to acids/bases, oxidants, and heat to select compatible conditions; confirm with small-scale scouting reactions and analytical monitoring (LC/MS, TLC, NMR).
• Retrosynthetic access: If KDRLKZ-1 becomes a validated hit, map concise, high-yielding routes that tolerate late-stage diversification.

Until structural information is provided, treat KDRLKZ-1 solely as a screening entity rather than a synthetic reagent.

Target Specificity

• Target, pathway, or binding profile: Not specified for this item; refer to CoA/Spec Sheet or request additional data if available.

Notes:

• As a library member, KDRLKZ-1 is presumed target-agnostic until screened. Any observed activity should be verified across orthogonal assay technologies and counter-screens to exclude artifacts.
• If target engagement is later established, compile kinetic/thermodynamic parameters (IC50, Ki, KD, residence time) and define selectivity panels to profile off-target liabilities. None of these parameters are provided or implied here.