YS-363 - Moligand™, 10 mM in DMSO , CAS No.2470908-90-6

CAS: 2470908-90-6 Cat. No.: Y1498074 Fórmula: C₃₀H₃₀N₄O₃ Peso molecular: 494.58

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

YS-363 is a potent, selective, and orally active EGFR inhibitor, with IC 50 s of 0.96 nM and 0.67 nM for wild-type and L858R mutant forms of EGFR , respectively. YS-363 can induce G0/G1 cell cycle arrest and apoptosis.

Specifications

Especificaciones y pureza

Moligand™, 10 mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Nombres e identificadores

Peso molecular

494.58

Application Protocols

Generic handling and assay setup guidance for small-molecule screening compounds. Adapt to your assay and institutional SOPs.

• Stock solution preparation (general):

  • Allow vial to warm in a desiccator to avoid moisture condensation. Weigh quickly.
  • Prepare a concentrated DMSO stock (e.g., 10–50 mM) if soluble; vortex and sonicate briefly if needed. Filter or centrifuge to clarify.
  • Record exact concentration by weight-in or, for high accuracy, by qNMR or UV (if chromophore known and extinction coefficient available).

• Plate handling:

  • Aliquot into low-bind tubes/plates to minimize adsorption. Seal tightly; avoid repeated freeze–thaw by distributing working aliquots.
  • For serial dilutions, pre-wet tips, mix thoroughly (≥10x), and verify absence of precipitate visually and by absorbance/LightScattering if available.

• Assay setup:

  • Maintain constant vehicle concentration across all wells. Include vehicle-only controls and positive/negative assay controls.
  • Run a preliminary interference panel (absorbance/fluorescence, redox, detergent sensitivity) to flag problematic readouts.

• Documentation:

  • Note lot number, preparation date, solvent, and storage conditions. Archive raw data and chromatograms from incoming QC.

Only general procedures are provided because item-specific protocols are not specified for this product.

Biological Roles

Biological function of YS-363 is not specified. The following describes general roles for exogenous small-molecule ligands in research settings.

• From Product Data (item-specific):

  • No target, pathway, or mode-of-action information is provided for this item.

• General context (literature/guidance):

  • Small molecules are widely used as ligands to modulate protein function, probe signaling pathways, and perturb cellular phenotypes in a reversible, dose-dependent manner.
  • As chemical probes, ligands can help map binding pockets, assess selectivity landscapes, and generate SAR when analog series are available.
  • Biophysical assays (SPR, ITC, MST) and target engagement methods (CETSA, cellular thermal profiling) can reveal binding even in the absence of a known phenotype.

• Data considerations:

  • Off-target interactions and assay interference (fluorescence, redox activity, aggregation) are common confounders; include appropriate counterscreens.
  • Establish concentration–response curves with vehicle-matched controls to discern true target-mediated effects.

• Limitations:

  • Without structural and target details, no specific biological role can be ascribed to this item. All uses are for research only and not for diagnostic or therapeutic applications.

Buffer Applications

YS-363 is not a buffer reagent. However, correct buffer handling is critical when evaluating small-molecule ligands.

• From Product Data (item-specific):

  • No buffer-related specifications are provided.

• General assay buffer guidance (literature/guidance):

  • Keep DMSO carryover low and consistent across samples (commonly 0.1–1% v/v) to avoid vehicle effects.
  • Include a mild non-ionic surfactant (e.g., 0.01–0.05% Tween-20/Pluronic) to mitigate colloidal aggregation if compatible with the assay.
  • Maintain ionic strength and pH appropriate for the biological target; pre-equilibrate buffers to temperature to minimize solubility shifts.
  • For pH-sensitive ligands, evaluate activity across a small pH window (±0.5 units) to ensure robustness.

• Practical preparation:

  • Pre-dilute compound stocks into an intermediate co-solvent:buffer mixture before final dilution to reduce precipitation risk.
  • Filter buffers (0.22 µm) and degas as needed to support optical or biophysical readouts.

No specific buffering system is recommended for this item; select according to the biological assay (e.g., HEPES, PBS, Tris) while controlling for DMSO concentration.

Green Alternatives

Green chemistry considerations primarily impact solvent choice for stock preparation, dilution, and cleanup.

• Context (general):

  • The compound identity is undisclosed here; thus, greener practice focuses on auxiliary materials, not the molecule itself.

• Greener solvent choices for preparation and workup (general guidance):

  • Prefer DMSO or ethanol for stock solutions when feasible; avoid chlorinated solvents.
  • For cleaning and recovery, use ethanol or isopropanol before resorting to acetonitrile or DMF.

• Comparison of common options (general; not item-specific):

  | Solvent | Greenness/notes | Typical use | |---|---|---| | DMSO | Low toxicity, biodegradable; high boiling | Stock prep, assay-compatible | | Ethanol | Renewable, low toxicity | Stock prep (if soluble), cleaning | | Isopropanol | Low toxicity, widely available | Rinsing, intermediate dilution | | Acetonitrile | Petro-based, volatile organic | HPLC, limited stock prep | | DMF/NMP | Reprotoxic concerns | Reserve for difficult solubilization |

• Operational improvements:

  • Use miniaturized assays to reduce solvent volumes.
  • Employ sealed plates to limit VOC emissions.
  • Optimize DMSO concentration to the minimal effective level while maintaining solubility.

Note: No greener “alternative compound” can be proposed without structure or function disclosure; improvements center on process choices.

Pharmaceutical Uses

No pharmacopeial or excipient status is provided. YS-363 is sold for research use only and is not intended for human or veterinary use.

• From Product Data (item-specific):

  • Research Use Note: For research use only

• General discovery-context uses (non-clinical):

  • Reference standard in medicinal chemistry screening cascades.
  • Analytical spike-in for method development (LC–MS/MS) once identity is confirmed.
  • Tool compound candidate in early mechanism or phenotypic studies, pending structure and purity verification.

• Not applicable:

  • No therapeutic claims, dosage forms, or clinical indications apply to this item.
  • No compendial monograph or excipient designation is stated; any such use would require full regulatory qualification beyond the scope of this product.

Physical Properties

Item-specific physicochemical constants are not provided in the Product Data. Use the CoA/Spec Sheet for authoritative values.

• From Product Data (item-specific):

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

• Typical properties for small-molecule screening ligands (literature/general guidance, not item-specific):

  • State: Many Moligand-type compounds are solids at ambient conditions; some may be oils.
  • Solubility: DMSO is commonly suitable for stock solutions (e.g., 10–50 mM), with subsequent aqueous dilution. Solubility in ethanol, MeOH, or DMF can be explored if DMSO is unsuitable.
  • Aqueous behavior: Solubility and ionization can vary widely with pH. If the compound is ionizable, salt formation or pH adjustment may increase aqueous solubility.
  • Lipophilicity (clogP/logP) and pKa: Not specified for this item; derive from structure when available to guide formulation and permeability assumptions.

• Practical characterization (general):

  • Assess solubility by small-scale titration into DMSO, then into buffer to the intended final assay concentration, keeping DMSO carryover low (e.g., 0.1–1% v/v as assay-tolerated).
  • Confirm identity/purity and assess stability by LC–MS and a short-term thermal/light stress test when first received.
  • Refractive index, MP/BP, density: Not specified for this item; refer to CoA/Spec Sheet or measure experimentally if required.

Quality and Grades

Understanding the Moligand™ designation and what to expect regarding analytical documentation.

• From Product Data (item-specific):

  • Grade/Purity: Moligand™ (no explicit purity or stabilizer stated)

• What Moligand™ typically implies (general description of the line; not item-specific specifications):

  • Designed for small-molecule screening and discovery applications, with emphasis on identity confirmation and assay-ready handling.
  • Purity levels, residual solvents, counterions, and salt forms vary by item and are documented on the CoA/Spec Sheet when provided.
  • UV/Vis background and fluorescence properties are not standardized; users should pre-screen for assay interference.

• What is NOT specified for this item (consult CoA):

  • Exact purity assay (e.g., HPLC area %, NMR qNMR), residual solvent limits, water content, metal content, stabilizers, and salt form are not specified for this item; refer to CoA/Spec Sheet.

• Recommended incoming QC (general best practices):

  • Verify identity by LC–MS and, if material allows, 1H NMR.
  • Check purity by analytical HPLC/UPLC under your assay detection wavelength.
  • Record mass, lot number, receipt condition, and store promptly at -80°C to preserve integrity.

Reaction and Applications

Intended primarily as a small-molecule ligand for research screening and chemical biology rather than as a synthetic reagent.

• From Product Data (item-specific):

  • Category: Small molecules and compound libraries (Moligand™ line)
  • Manufacturer Applications: Not specified for this item; refer to catalog updates.

• Research uses (general, non-clinical):

  • High-throughput and hit-validation assays as an exogenous ligand or probe candidate.
  • Target engagement studies (e.g., CETSA, DARTS) after confirming solubility and spectral non-interference.
  • Biophysical binding analyses (SPR, ITC, MST) if structure and stability allow, using DMSO-matched buffers.
  • Phenotypic screening in cells or biochemical assays with attention to DMSO carryover and compound aggregation artifacts.

• Not typical uses:

  • Not generally used as a reagent for named organic reactions unless repurposed; no item-specific reactivity data are provided.

• Practical tips (general):

  • Filter or centrifuge stocks before dilution to remove particulates.
  • Run orthogonal counterscreens for fluorescence/absorbance interference and detergent-sensitive aggregation (e.g., include 0.01–0.05% non-ionic surfactant where appropriate).
  • Profile baseline stability in DMSO at ambient and refrigerated conditions; aliquot to minimize freeze–thaw cycles.

For specific biological targets/mechanisms, consult the CoA or related literature once the exact structure is available.

Reaction Conditions

No item-specific reaction conditions apply to YS-363 as supplied. If repurposed for derivatization, select conditions based on confirmed functional groups.

• From Product Data (item-specific):

  • None provided.

• General guidance (literature, not item-specific):

  • Amide coupling: carbodiimides (EDC/HOBt or HATU/DIPEA) in DMF/DCM/MeCN at 0–25°C; monitor by LC–MS.
  • Aryl C–N coupling: Buchwald–Hartwig conditions (Pd catalyst, biaryl phosphine ligand) in toluene/dioxane at 60–110°C with NaOtBu or Cs2CO3.
  • Suzuki–Miyaura: Pd(0/II) catalyst, aqueous base (K2CO3/Cs2CO3) in dioxane/H2O or MeOH/H2O, 50–90°C.
  • Click chemistry (CuAAC): CuSO4/sodium ascorbate in t-BuOH/H2O or DMSO/H2O at ambient temperature.

• Caveats:

  • These conditions are general and must be adapted once the actual functional groups and stability of YS-363 are known.
  • Avoid strong acids/bases, oxidants, or high temperatures until thermal/chemical stability is characterized for this specific compound.

Safety and Handling

Safety information should be taken from the SDS. The following summarizes what is and is not provided for this item.

• From Product Data (item-specific):

  • GHS Classification: Not specified for this item; consult SDS.
  • Signal Word: Not specified for this item; consult SDS.
  • H-Statements: Not specified for this item; consult SDS.
  • Pictograms: Not specified for this item; consult SDS.
  • Storage Conditions: Store at -80°C
  • Shipped In: Dry ice packs + Cold packs
  • Research Use Note: For research use only

• General laboratory precautions (literature/guidance):

  • Handle in a chemical fume hood, wearing appropriate PPE: lab coat, safety glasses, and suitable chemical-resistant gloves.
  • Avoid inhalation of dust/aerosols and contact with skin/eyes. Prevent ingestion; do not pipette by mouth.
  • Many drug-like organics can be light- and/or air-sensitive. Protect from light, moisture, and repeated freeze–thaw unless stability is documented.
  • Incompatibilities (general): strong oxidizers/strong acids or bases may cause degradation depending on functionality; segregate until structural information is known.

• First-aid (general overview; defer to SDS):

  • Skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing; seek medical advice.
  • Inhalation: Move to fresh air; monitor breathing; seek medical attention if symptoms persist.
  • Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.

Always consult the product-specific SDS for definitive hazard and response information.

Solvent Selection

Because solubility data are not provided, select solvents systematically to ensure reliable stock preparation and assay compatibility.

• From Product Data (item-specific):

  • No solvent recommendations are specified; refer to CoA/Spec Sheet if included.

• General solvent strategy (literature/guidance):

  • Primary stock solvent: DMSO is the default for many screening compounds due to broad solvating power and biological assay compatibility.
  • Alternatives: DMF or NMP (excellent solubilizers but less preferred toxicologically), ethanol or methanol (greener, volatility may aid drying), acetonitrile (miscible, lower viscosity), or aqueous buffers with co-solvent if ionizable.
  • pH-assisted solubilization: If the molecule bears basic/acidic groups, dissolving in minimal acidic/basic aqueous media followed by pH readjustment can help.

• Practical workflow:

  • Start with a small-scale screen: DMSO, MeOH, EtOH, ACN at room temperature and 37°C; monitor clarity and persistence of solution after 30–60 min.
  • Target assay carryover: keep final DMSO ≤0.1–1% v/v depending on biology; match vehicle controls.
  • Avoid precipitation upon dilution by adding compound stock last into vigorously mixed buffer or via stepwise pre-dilution with co-solvent.

• Quick comparison (general):

  • DMSO: high solvency, assay-compatible; higher viscosity.
  • EtOH/MeOH: greener, volatile; lower solvency for very lipophilic solids.
  • DMF/NMP: strong solvency; greater handling/toxicity considerations.

Storage and Reconstitution

Maintain compound integrity through appropriate cold-chain handling and minimal freeze–thaw.

• From Product Data (item-specific):

  • Storage Conditions: Store at -80°C
  • Shipped In: Dry ice packs + Cold packs

• Storage guidance (general best practices):

  • Upon receipt, inspect packaging for temperature excursion. Return promptly to -80°C storage.
  • Store dry, protected from light, and under inert gas if available for sensitive compounds. Use desiccant in secondary containment.
  • Avoid repeated freeze–thaw cycles by preparing single-use or limited-use aliquots.

• Reconstitution (general):

  • Warm the sealed container to room temperature in a desiccator before opening to prevent moisture ingress.
  • Prepare a concentrated stock in DMSO (common starting point) or another validated solvent. Note that specific solubility is not provided for this item; verify experimentally.
  • Label aliquots with compound ID, lot, solvent, concentration, and date. Store aliquots at -80°C; for short-term use, -20°C may be acceptable if stability is confirmed.

• Stability monitoring:

  • Periodically assess by LC–MS/HPLC to detect degradation. Discard aliquots showing precipitation, discoloration, or purity loss.

For research use only. Refer to the product’s CoA and SDS for any item-specific stability and safety details.

Structure and Identity

Concise overview of identity and available identifiers for this Moligand-class screening compound.

• From Product Data (item-specific):

  • SKU: Y1498074
  • Product Name: YS-363
  • CAS: 2470908-90-6
  • Grade: Moligand™
  • 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:

  • Item-specific structural motifs (ring systems, heteroatoms, stereochemistry) are not disclosed in the provided data. Refer to the Certificate of Analysis (CoA) or structure file (SDF/MOL) if supplied with your library shipment.

• 2D structure (descriptive):

  • Not available from the provided data. If you received a screening plate, the associated SD file will contain atom connectivity, formal charges, and stereochemical annotations.

• Practical notes:

  • For informatics workflows, request or generate standardized identifiers (InChI, InChIKey, canonical SMILES) directly from the supplier CoA/SDF to avoid mapping errors across databases.
  • If intended for SAR or docking, ensure protonation-state normalization at experimental pH prior to modeling, using the vendor-provided structure as the primary reference.

Synthetic Utility

YS-363 is positioned as a screening ligand rather than a synthetic reagent. Without structural disclosure, specific transformations cannot be enumerated.

• From Product Data (item-specific):

  • No functional group information is provided.

• General possibilities (literature/guidance, contingent on actual structure):

  • If reactive handles are present (e.g., amine, carboxyl, halide, boronate), derivatization for SAR is feasible via amide couplings, SNAr, cross-couplings (Suzuki, Buchwald–Hartwig), or late-stage functionalization.
  • Installation of reporter tags (biotin, fluorophores) or linkers for affinity capture can be achieved via standard conjugation chemistries when compatible.

• Practical notes:

  • Prioritize retention of the parent scaffold’s integrity during modification to preserve binding.
  • Confirm that any salt/base form is compatible with planned transformations; convert to a free base/acid if necessary for coupling efficiency.

Because no item-specific reactivity or functional groups are provided, treat YS-363 as an end-use library member unless subsequent structural information indicates synthetic derivatization pathways.

Target Specificity

Target, selectivity, and mechanism information are not provided for this item.

• From Product Data (item-specific):

  • No target, pathway, or specificity annotations are supplied.

• Guidance (general):

  • If pursuing target deconvolution, consider chemoproteomics (affinity capture with tagged analogs), thermal profiling, CRISPR-based synthetic lethality screens, or panel profiling to establish selectivity.
  • Use orthogonal assays and counterscreens to differentiate true target engagement from assay interference.

No claims of specificity can be made for YS-363 without supporting data; consult the CoA or internal screening results.

Preguntas frecuentes

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 2470908-90-6, the molecular formula is C30H30N4O3, and the molecular weight is 494.58 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.