YK-029A - Moligand™, 10 mM in DMSO , CAS No.2064269-82-3

CAS: 2064269-82-3 Cat. No.: Y1498097 Formule: C₂₇H₃₂N₈O₂ Poids moléculaire: 500.60

QUALITÉ & PURETÉ Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

YK-029A is an orally active inhibitor of mutant EGFR ，targeting to both the T790M mutations ( EGFR T790M ) and exon 20 insertion of EGFR (EGFRex20ins). YK-029A exhibits significant antitumor activity，and results tumor regression in EGFRex20ins-driven PDX models.

Spécifications

Spécifications et pureté

Moligand™, 10 mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Noms et identifiants

Poids moléculaire

500.60

Application Protocols

Item-specific validated applications:

• None provided. No tested protocols or recommended dilutions are specified for YK-029A.

General example workflow for screening compounds (guidance; adapt to your assay):

• Stock: Dissolve to 10–50 mM in anhydrous DMSO; vortex and, if needed, brief sonication. Confirm clarity; filter through 0.2 µm PTFE if particulates persist.
• Aliquoting: Dispense into low-bind tubes/plates (avoid repeated freeze–thaw). Store at ultra-low temperature per Storage section.
• Assay setup: Prepare a dilution series in assay buffer maintaining constant final DMSO across wells (e.g., 0.5%). Include positive/negative and vehicle controls.
• Data quality: Monitor for precipitation, edge effects, and fluorescence/absorbance interference. Use orthogonal methods to confirm hits.

Consult your internal SOPs and instrument manuals for detailed steps tailored to your assay platform.

Biological Roles

Item-specific facts:

• No biological target, pathway, or mode-of-action is specified for YK-029A.

General considerations for screening ligands:

• Compounds in discovery libraries are evaluated for potential interactions with protein targets, nucleic acids, or cellular pathways; however, without target annotation or structural data, no specific biological role can be ascribed to YK-029A.
• Prior to biological testing, assess potential assay interferences (fluorescence, redox cycling, metal chelation, aggregation) using appropriate controls and orthogonal readouts.
• For cellular systems, determine cytotoxicity windows and compound stability in media (serum binding, hydrolysis, photolability) empirically.

Research-use-only note:

• This product is supplied strictly for research use only. It is not intended for diagnostic, therapeutic, or clinical applications.

Action items:

• Consult the CoA/Spec Sheet for any target annotations or prior use notes that may accompany this specific CAS.
• If a target is later identified, document assay conditions, EC50/IC50, and selectivity profile in your ELN with the corresponding lot number.

Buffer Applications

Not typically applicable:

• YK-029A is a screening ligand, not a buffering agent. No buffer system, pKa, or buffering range is specified or implied for this item.

Practical guidance (when preparing assay buffers that will contain the compound):

• Choose established biological buffers (e.g., HEPES, PBS, Tris) appropriate to your target assay and maintain DMSO at a constant final percentage across controls and treatments.
• Pre-dilute compound stocks in buffer to mitigate precipitation; gentle sonication may help. Filter if necessary to remove particulates (0.22 µm) after confirming no adsorption losses.

All buffer parameters and recipes should be determined by the requirements of your assay system rather than by this compound.

Green Alternatives

Applicability:

• Green solvent or reagent substitution is not typically applicable to an unknown-structure screening ligand like YK-029A, which is used as a test article rather than a process solvent or stoichiometric reagent.

General guidance (program-level sustainability):

• Minimize DMSO volumes by using higher-concentration stocks and low-dead-volume plates.
• Use sealed, low-evaporation labware to reduce solvent losses and VOC emissions.
• Consolidate analytical runs (LC-MS/HPLC) to reduce solvent consumption; consider aqueous-compatible methods when possible.
• Manage cold-chain logistics efficiently: batch shipments and maintain inventories to reduce dry ice usage.

If YK-029A were to be used in synthesis or scale-up, greener alternatives would be structure- and transformation-dependent; consult solvent selection guides (e.g., GSK/ACS) to choose preferred solvents for the specific chemistry once the structure is known.

Pharmaceutical Uses

Not applicable for this listing:

• YK-029A is provided for research use only and is not formulated as an excipient or manufacturing aid. No pharmacopeial status, dosage form role, or GMP use is indicated.

General note for discovery workflows:

• If progression toward preclinical studies is contemplated, perform comprehensive physicochemical characterization (solubility, polymorph risk, stability), early developability assessments, and impurity profiling. Any pharmaceutical use would require separate qualification, documentation, and compliance not covered by this research-grade product.

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.

Not specified for this item (consult CoA/Spec Sheet or SDS):

• Melting point, boiling point, density, refractive index
• Solubility in water/organic solvents
• LogP/logD, pKa, UV-Vis characteristics

General considerations for small-molecule screening compounds (literature/guidance, not item-specific):

• Most screening ligands are supplied as solids and dissolved in dry DMSO to prepare 10–50 mM stocks, then diluted into assay buffer to final DMSO ≤0.1–1% v/v as assay-tolerated.
• If photosensitive or prone to hydrolysis (compound dependent), protect from light and moisture and avoid repeated freeze–thaw.
• For unknown solubility, serially titrate DMSO or use co-solvent systems (e.g., DMSO:H2O or DMSO:buffer with surfactant) while monitoring for precipitation.

Note: Do not treat the above as specifications. Obtain exact values for this CAS from the CoA/Spec Sheet and SDS before setting handling limits or analytical acceptance criteria.

Quality and Grades

Item-specific facts (from Product Data):

• Grade/Purity designation: Moligand™

What Moligand™ typically implies (program description; not item-specific specifications):

• Curated small-molecule ligands intended for discovery research, screening, and SAR workflows.
• Supplied with identity confirmation (e.g., LC-MS, NMR) and purity information on the CoA/Spec Sheet. Exact test methods, acceptance criteria, and purity levels are not specified here—please consult the item’s documentation.
• Format is commonly suitable for high-throughput screening (HTS) and medicinal chemistry triage, with storage recommendations optimized for compound stability and sample integrity.

Stabilizers/impurities:

• Stabilizers, residual solvents, water content, metals, and specific impurity limits are not specified for this item; refer to CoA/Spec Sheet.

Practical guidance:

• Verify purity and identity on receipt by reviewing CoA. For sensitive assays (e.g., biophysical binding), consider orthogonal QC (HPLC, HRMS, 1H NMR) to confirm batch suitability.
• Record lot and CoA in ELN to maintain traceability across screening and follow-up studies.

Reaction and Applications

Item-specific facts (from Product Data):

• Manufacturer Applications: Not specified for this item beyond inclusion in a small-molecule/compound library (Moligand™).

Use context (general for Moligand™/screening ligands):

• Designed primarily for discovery research, including biochemical/biophysical binding assays, phenotypic screens, and SAR development.
• Typical workflows: prepare DMSO stocks; run single-point or dose–response assays; confirm hits via orthogonal methods (e.g., DSF, SPR, ITC, NMR, CETSA) and counter-screens to exclude assay interference.
• Follow-up: Evaluate chemical liabilities (e.g., PAINS, redox activity, aggregation) with appropriate filters/controls. Confirm identity and purity by LC-MS/NMR prior to hit triage.

Synthetic chemistry note:

• Without structural information, YK-029A is not discussed as a reagent or building block here. If used in synthesis, consult CoA/structure to plan protection strategies, functional-group compatibility, and purification methods.

Assay execution tips (general):

• Control DMSO concentration across wells; pre-dilute to minimize precipitation upon buffer addition.
• Include detergent (e.g., 0.01–0.05% Tween-20) when aggregation is suspected; assess with light scattering where possible.
• Track lot number and freeze–thaw cycles; aliquot stocks to avoid repeated thermal stress.

Reaction Conditions

Not applicable in the absence of structural information:

• No typical reaction conditions, catalysts, or yields can be recommended for YK-029A as a reagent or substrate.

Assay-focused conditions (general guidance):

• Stock preparation: Often 10–50 mM in dry DMSO, aliquoted and stored at ultra-low temperature to minimize degradation and freeze–thaw cycles.
• Working concentrations: Determined by assay sensitivity; include a dilution series (e.g., 10-point half-log) and vehicle controls.
• Environmental controls: Protect from light and moisture if instability is suspected. Maintain consistent DMSO percentage across wells to avoid confounding effects.

Please refer to your assay SOPs and the CoA/SDS for any compound-specific handling limits or precautions.

Safety and Handling

Item-specific hazard data:

• GHS classification, signal word, pictograms, and H-statements: Not specified for this item; refer to SDS.

General laboratory safety (guidance; defer to SDS as authoritative):

• PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Work in a fume hood when handling powders or organic solutions to limit inhalation exposure.
• Avoid ingestion, inhalation of dust/vapors, and skin/eye contact. Wash thoroughly after handling.
• Storage incompatibilities should be assessed after structure is known; in the absence of details, segregate from oxidizers and strong acids/bases and keep tightly sealed under inert, dry conditions at the recommended temperature.
• Spill response: Contain with inert absorbent, collect in compatible waste container, and ventilate area. For solids, avoid generating dust; gently sweep or HEPA-vacuum.
• First aid (overview): In case of skin contact, wash with soap and water; eye contact, rinse with water for ≥15 minutes; inhalation, move to fresh air; ingestion, seek medical attention. Provide SDS to responders.
• Waste: Dispose via licensed chemical waste contractor in accordance with institutional and local regulations.

Always consult the official SDS for YK-029A for definitive hazard classifications, exposure limits, and emergency procedures.

Solvent Selection

Item-specific facts:

• No solvent recommendations are specified for this item; refer to CoA/Spec Sheet if provided.

General guidance for small-molecule screening ligands (literature/practice):

• Primary stock solvent: DMSO is typically preferred due to broad solvency and assay compatibility. Prepare concentrated stocks (e.g., 10–50 mM) after verifying solubility; filter if necessary (0.2 µm PTFE) to remove particulates.
• Assay dilution: Dilute DMSO stocks into aqueous buffers to final DMSO typically ≤0.1–1% v/v, depending on assay tolerance. Include vehicle controls.
• Alternative solvents: If insoluble in DMSO, consider DMF or co-solvent systems (DMSO with MeOH, acetonitrile) and then into buffer with gentle sonication. Avoid solvents incompatible with biological assays or instrumentation.
• Polarity considerations: Without structure, dielectric properties and partition behavior cannot be predicted. Empirically screen solubility in DMSO, DMF, MeOH, ACN, and PBS.

Comparison (general):

• DMSO: broad solubility, assay-compatible at low %, hygroscopic; manage water pickup.
• DMF: good solvency; more toxic; less favored for bioassays.
• ACN/MeOH: useful as co-solvents; volatility can aid solvent exchange but may affect protein stability.

Note: Validate solvent choices experimentally for YK-029A before scaling assays.

Storage and Reconstitution

Item-specific facts (from Product Data):

• Storage conditions: Store at -80°C
• Shipped in: Dry ice packs + Cold packs

Reconstitution guidance (general; verify with CoA):

• Upon receipt: Keep frozen. Allow container to equilibrate to room temperature in a desiccator before opening to minimize moisture condensation, especially if shipped on dry ice.
• Initial dissolution: Prepare concentrated stock in anhydrous DMSO after confirming solubility. Aim for a workable concentration (e.g., 10–50 mM) suitable for your assay tolerance.
• Aliquoting: Dispense into single-use, low-bind aliquots to avoid repeated freeze–thaw cycles. Flush headspace with inert gas if the compound is air/moisture sensitive (unknown; check CoA).
• Storage of solutions: Store aliquots at -80°C in sealed containers. Record preparation date and concentration. Avoid frost-free freezers that cycle temperatures.
• Stability: No item-specific stability data are provided. Periodically re-check integrity by LC-MS/HPLC after prolonged storage or multiple thaw events.

Notes:

• Appearance, water content, and stabilizers are not specified for this item; refer to CoA/Spec Sheet.
• For research use only.

Structure and Identity

Item-specific facts (from Product Data):

• Product name: YK-029A (SKU: Y1498097)
• CAS: 2064269-82-3
• Grade: Moligand™
• Category: Small molecules and compound libraries
• 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:

• Structural features, ring systems, functional groups, and stereochemistry cannot be described because no structural representation (SMILES/InChI) is provided for this item. Please consult the CoA/Spec Sheet for definitive identity parameters and spectral characterization.

General guidance (literature/assay context):

• Moligand™ items are typically small-molecule ligands formatted for screening and SAR follow-up. Identity is commonly supported by at least one orthogonal method (e.g., LC-MS, 1H NMR). Verify exact identity and purity from the item’s CoA prior to use in critical studies.

Synthetic Utility

Scope:

• Without structural information, YK-029A cannot be discussed as a synthetic building block or reagent. No functional group profile, reactivity, or protection/deprotection strategy can be inferred from the provided data.

General guidance if structure becomes available:

• Assess functional groups for cross-coupling handles, heteroatom nucleophilicity/basicity, redox sensitivity, and stereochemical liabilities.
• Plan purification based on polarity and ionizability (normal-phase silica vs. reverse-phase preparative LC). Consider salt formation if basic/acidic to aid isolation.
• For SAR expansion, map exit vectors and identify modular fragments amenable to diversification.

Until the structure is disclosed, treat YK-029A primarily as a screening article rather than a synthetic intermediate.

Target Specificity

Item-specific data:

• No target, epitope, or specificity information is provided for YK-029A. This section is generally applicable to biologics/antibodies, not to unannotated small molecules.

Guidance:

• Determine specificity empirically through counter-screens against related targets, orthogonal biophysical assays, and off-target profiling once a primary activity signal is observed.

Foire aux questions

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2064269-82-3, the molecular formula is C27H32N8O2, and the molecular weight is 500.60 g/mol.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.