YTK-2205 - Moligand™ , Agonist of sequestosome 1, CAS No.Y614934, Agonist of sequestosome 1

CAS: Y614934 Cat. No.: Y614934 PubChem CID: 139535055

GRADE & PURITY Moligand™

Synonyms

example 2 [US20210163399A1];YTK 2205;YTK2205

Storage

Room temperature

Specifications

Synonyme

example 2 [US20210163399A1];YTK 2205;YTK2205

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

AGONIST

Mechanismus der Wirkung

Agonist of sequestosome 1

Namen und Kennungen

Kanonisches Lächeln

OCCNCc1ccc(OCCc2ccccc2)c(OCCc2ccccc2)c1

IUPAC Name

2-[[3,4-bis(2-phenylethoxy)phenyl]methylamino]ethanol

InChIKey

RQNGRJHGRKZOEL-UHFFFAOYSA-N

INCHI

1S/C25H29NO3/c27-16-15-26-20-23-11-12-24(28-17-13-21-7-3-1-4-8-21)25(19-23)29-18-14-22-9-5-2-6-10-22/h1-12,19,26-27H,13-18,20H2

PubChem CID

139535055

Zugehörige Ziele (menschlich)

SQSTM1 Tbio Sequestosome-1 (0 Activities)

Discover Target: SQSTM1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Application Protocols

No tested application protocols are provided for this item in the catalog entry.

• Recommended dilutions, assay formats, or positive controls: Not specified for this item; refer to CoA/Spec Sheet or develop protocol empirically according to your assay system.

For assistance with general screening workflows or stock preparation practices, see the Solvent Selection and Reaction & Applications sections.

Biological Roles

• YTK-2205 is provided as a research screening compound. No endogenous biological role or pathway association is specified in this catalog entry.
• Biological function/targets: Not specified for this item; refer to study results generated by the user or any disclosure in the CoA.
• Metabolic fate/toxicity: Not specified; treat as a compound of unknown ADME/Tox properties.

General guidance for researchers (not item-specific)

• If a target is hypothesized, validate engagement using orthogonal methods (biochemical potency, biophysical binding, and cellular target engagement).
• Assess basic developability flags early: solubility at assay pH, permeability (PAMPA/MDCK), and stability in buffer and microsomes if relevant.
• Record vehicle effects carefully (DMSO %, serum, pH, protein binding) to avoid misattributing biological responses.

Note: The product is labeled For research use only and is not intended for diagnostic or therapeutic applications.

Buffer Applications

YTK-2205 is not a buffering agent. This section provides general, non-item-specific guidance for handling small-molecule stocks in biological buffers.

General practices

• Prepare concentrated stocks in DMSO, then dilute into assay buffers such as PBS, HBSS, or HEPES-buffered media, keeping final DMSO typically ≤0.1–0.5% v/v.
• To mitigate precipitation, add the compound stock last while mixing vigorously; consider including 0.01–0.05% nonionic surfactant (e.g., Tween-20) where compatible and justified by controls.
• For pH-sensitive chemotypes (unknown here), maintain buffer pH within ±0.5 units during dosing; avoid high-phosphate buffers if metals or coordination are suspected.

Recipe hints (general)

• PBS (1×): 137 mM NaCl, 2.7 mM KCl, 10 mM phosphate, pH 7.4.
• HEPES buffer: 25 mM HEPES, 150 mM NaCl, pH 7.2–7.5.

Always confirm solubility and stability of YTK-2205 in the chosen buffer empirically.

Green Alternatives

Greener handling of screening compounds focuses on solvent choice and waste minimization rather than substitution of the molecule itself (structure not disclosed here).

General solvent considerations (literature/practice)

• Prefer water-buffer systems at low organic content whenever compound solubility and stability allow.
• For stocks, DMSO remains common; greener bio-based alternatives like Cyrene (dihydrolevoglucosenone) or propylene carbonate have niche applicability but may be less compatible with many bioassays.

Comparison (general; not item-specific)

| Use case | Conventional | Greener option | Trade-offs | |---|---|---|---| | Stock solutions | DMSO | Cyrene, propylene carbonate | Assay compatibility, viscosity, limited miscibility with water | | Analytical prep | ACN, MeOH | EtOH (renewable), water-rich gradients | Volatility and detector response differ | | Workup/washing | DMF, DCM | EtOAc, 2-MeTHF | Solvency window narrower |

Practical tips

• Minimize DMSO final concentration (≤0.1–0.5% v/v when possible).
• Use micro-scale assay formats to reduce solvent consumption and waste.
• Segregate halogenated from non-halogenated waste; consider on-site solvent recycling where permitted.

Always confirm compound stability and assay performance when changing solvents; greener choices must not compromise data quality.

Pharmaceutical Uses

• This product is designated For research use only and is not intended for human or veterinary use.
• Formulation/excipient status: Not specified for this item; not listed as an excipient in pharmacopeias per the provided data.
• Discovery context (general): Screening compounds like YTK-2205 are commonly used in early-stage discovery workflows (hit identification/validation) to inform structure–activity relationships and prioritize chemotypes. Any progression toward development requires comprehensive resynthesis, full characterization, and grade/quality upgrades.
• Regulatory: Not a GMP-grade material; not qualified for clinical or manufacturing use. If cGMP material or ICH-compliant impurity profiling is required, a different sourcing and quality framework is needed.

Documentation

• For any preclinical enabling work (e.g., in vivo exploratory studies), ensure independent confirmation of identity, purity, and stability; establish fit-for-purpose specifications and retain analytical records.

Physical Properties

Item-specific physicochemical data are not included in this catalog summary.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting/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: Not specified for this item; refer to CoA/Spec Sheet. (General practice for library compounds is initial dissolution in anhydrous DMSO; see Solvent Selection.)
• LogP/pKa: 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/practice; not item-specific)

• For unknown library members, start with a 10–50 mM DMSO stock, evaluate clarity and stability at room temperature and 4–8 °C, and check for precipitation upon aqueous dilution.
• If structure is available, estimate ionization state (pKa) and lipophilicity (cLogP) to select alternative solvents (e.g., MeOH, DMF) or buffers (adjust pH relative to predicted pKa ±1).
• Confirm hygroscopicity and polymorphic behavior experimentally if solid, using quick mass/appearance checks after desiccation.

Always defer to the product’s CoA/Spec Sheet for authoritative, lot-specific physical property information.

Quality and Grades

• Grade/Purity (as listed): Moligand™

What Moligand grade generally signifies (general description; not item-specific specifications)

• Small-molecule screening/library-grade material suitable for discovery research, HTS, and hit validation workflows.
• Emphasis on confirmed identity and practical purity for screening; detailed numeric specifications (e.g., assay purity, water content, residual metals, stabilizers) are lot-dependent and provided on the CoA when applicable.

Item-specific details

• Purity %: Not specified for this item; refer to CoA/Spec Sheet.
• Stabilizers/Salts/Counter-ions: Not specified for this item; refer to CoA/Spec Sheet.
• Analytical release tests (typical for screening libraries; general): Identity by MS/HRMS and/or NMR; purity by HPLC/UPLC with UV/CAD/ELSD; appearance and solubility check. Exact methods and limits are batch-specific—consult the CoA.

Guidance for users

• For quantitative biology/chemistry, verify purity and identity in-house (orthogonal LC-MS/NMR) prior to SAR or potency reporting.
• For LC-based assays, check UV background/impurities; if low-UV is required, request chromatograms or consider re-purification.
• If regulatory submission or GLP/GMP context is anticipated, this research-only grade is not appropriate; request a suitable grade or full impurity profile.

Reaction and Applications

This item is supplied as a research screening compound rather than a general-purpose synthetic reagent. Accordingly, its primary uses are discovery-oriented rather than as a stoichiometric/transformation reagent.

Discovery and screening (general guidance)

• HTS/fragment/virtual-screen validation: Prepare concentration–response curves, determine apparent potency in biochemical or cell-based assays, and document vehicle percentage.
• SAR exploration: Use YTK-2205 as a reference point in a chemotype series; measure physicochemical proxies (solubility, permeability) to interpret activity shifts.
• Orthogonal assays: Confirm activity across at least two mechanistically distinct readouts to rule out assay interference.
• Counterscreens: Evaluate aggregation (e.g., detergent sensitivity), redox cycling, and fluorescence interference where relevant.

Analytical applications

• Reference standard: May serve as an internal/external standard in LC-MS/MS once identity and purity are confirmed (general practice).

Notes

• In the absence of disclosed structure, avoid mechanistic assumptions (e.g., covalency, redox activity). Implement pan-assay interference (PAINS) and colloidal aggregation triage.
• If derivatization or immobilization is planned (e.g., for chemoproteomics), contact us for structural disclosure under appropriate agreements or consider de novo synthesis routes based on public identifiers, then verify against our CoA.

Reaction Conditions

This product is not supplied as a transformation reagent, and no item-specific reaction conditions are provided.

• Typical chemical reaction conditions: Not applicable for this item; structure and functional groups are not disclosed in the catalog entry.
• Analytical handling (general): For LC-MS, dissolve in DMSO/MeOH/ACN as appropriate, dilute to 0.1–10 µg/mL, and use water–organic gradients with 0.1% formic acid or ammonium formate as needed. Verify ionization mode (ESI+/ESI−) empirically.

If you plan to use YTK-2205 in chemical reactions (e.g., as a starting material or intermediate), please obtain the full structural information and stability profile from the CoA/Spec Sheet and perform small-scale feasibility tests.

Safety and Handling

Safety data specific to YTK-2205 are not provided in this listing. Handle as a research chemical of unknown toxicity and hazard profile.

Item-specific hazard information

• Signal Word (GHS): 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 precautions (best practice)

• PPE: Lab coat, safety glasses, disposable nitrile gloves; change gloves frequently when handling DMSO solutions due to skin permeation potential.
• Engineering controls: Work in a chemical fume hood to avoid inhalation of dust/aerosols/solvent vapors.
• Avoid: Ingestion, inhalation, skin/eye contact. Do not pipette by mouth. Avoid contact with strong oxidizers/reductants until compatibility is known.
• First aid (overview): Skin/eye contact—rinse with water for ≥15 min; remove contaminated clothing. Inhalation—move to fresh air. Ingestion—rinse mouth; seek medical attention. Always follow the SDS.
• Spill response: Absorb with inert material (vermiculite), collect for disposal as chemical waste. Decontaminate area with appropriate solvent/detergent.
• Waste: Dispose per institutional and local regulations; treat DMSO-containing waste as organic solvent waste.

Always consult and follow the official SDS for YTK-2205 for authoritative, product-specific safety information.

Solvent Selection

Because the detailed structure of YTK-2205 is not disclosed here, solvent guidance is based on common practice for small-molecule screening compounds.

Primary approach

• Stock preparation: Start with an anhydrous DMSO stock (10–50 mM). Warm gently (room temperature to 37 °C) and vortex/sonicate briefly to assist dissolution.
• Assay dilution: Dilute DMSO stocks into aqueous assay buffers while keeping final DMSO ≤0.1–1.0% v/v (as your biology permits) to minimize vehicle effects.

Alternative solvents (general considerations)

• Polar aprotic: DMF, acetonitrile for LC-MS sample prep or difficult solubility cases.
• Protic: methanol, ethanol for analytical standards; check stability vs transesterification or oxidation where applicable.
• Aqueous buffers: Use only if the compound is predicted/known to be ionizable and stable; adjust pH ±1 of pKa when known.

Compatibility and tips

• Filter 0.2 µm if particulates persist; avoid adsorption by using glass vials or low-bind plastics.
• For light/air-sensitive chemotypes (unknown here), minimize exposure (amber vials, inert gas).
• Record exact solvent lot and final vehicle percentage for reproducibility.

Simple comparison (general)

• DMSO: excellent solvency, miscible with water; biological tolerance typically ≤0.5%.
• MeOH/EtOH: fast evaporation, convenient for analytical injections; lower aqueous tolerance and potential biological effects.

Storage and Reconstitution

Item-specific storage

• Storage Conditions (as listed): Room temperature.
• Shipped In: Not specified for this item; refer to CoA/Spec Sheet.
• Appearance/physical state: Not specified for this item; refer to CoA/Spec Sheet.

General, non-item-specific guidance

• If supplied as a solid: Store tightly closed in a dry, inert atmosphere (desiccant), protected from light. After opening, re-cap promptly and consider aliquoting.
• If supplied as a solution: Verify solvent and concentration on the label; store as directed. Avoid repeated freeze–thaw.

Reconstitution (when structure is undisclosed)

• Start with anhydrous DMSO to prepare a 10–50 mM stock. Mix gently and, if needed, sonicate briefly. Record the exact concentration and date.
• For working solutions, dilute into buffer/media keeping final DMSO as low as your system permits (often ≤0.1–0.5% v/v). Inspect for precipitation and discard if turbidity forms.

Stability

• Long-term stability and solution shelf life: Not specified for this item; refer to CoA/Spec Sheet. As a precaution, prepare single-use aliquots and store protected from moisture and light.

Always follow the label and SDS for authoritative storage and handling instructions.

Structure and Identity

Brief overview: YTK-2205 (SKU Y614934) is listed in our small-molecule/compound library collection (Moligand grade) intended for research screening workflows.

• Product Name: YTK-2205
• SKU: Y614934
• Category: Small molecules and compound libraries (screening collection)
• CAS: Y614934 (catalog identifier as provided; not a standard CAS assignment)
• PubChem CID: 139535055 (catalog identifier provided)
• InChIKey: 323293 (as provided)
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.

Structural features

• Item-specific structural motifs (rings, heteroatoms, stereochemistry): Not specified for this item; refer to CoA/Spec Sheet.
• 2D description in words: Not available in the current catalog entry. The compound is supplied as part of a screening library under Moligand grade; structure and functional groups are not disclosed here.

Notes

• Where needed for assay development, please request the current CoA/Spec Sheet for full structural identifiers (SMILES/InChI, MF, MW) to enable accurate dosing and documentation.
• If using cheminformatics tools, the PubChem CID (139535055) can be used as a starting point to retrieve public metadata; confirm against the Aladdin CoA for equivalence before use in regulated records.

Synthetic Utility

YTK-2205 is provided as a finished small-molecule screening compound and is not positioned as a general synthetic reagent or building block in this catalog entry.

• Functional groups/reactivity: Not specified for this item; refer to CoA/Spec Sheet if derivatization is planned.
• As an analytical reference: The compound can be used as a reference standard in method development (LC-UV/MS) once structure, purity, and stability are verified (general practice).
• Derivatization/immobilization: If probe development (e.g., biotinylation, photoaffinity tagging) is intended, obtain structural information to identify modification vectors that preserve activity; re-confirm activity post-derivatization.

Retrosynthetic considerations (general guidance)

• If resynthesis is desired, leverage any public identifiers to locate literature routes; confirm that the synthesized material matches the supplied standard (1H/13C NMR, HRMS, chromatographic retention, and, if possible, IR/elemental analysis).

Given the absence of disclosed functional groups, no specific named-reaction guidance can be provided for this item.

Target Specificity

• Target/Pathway: Not specified for this item; no target assignment is provided in the catalog entry.
• Mechanism/Class: Not specified for this item.
• Selectivity data: Not specified for this item.

Note: If YTK-2205 is evaluated against a particular target panel, report assay format, conditions, and counterscreens alongside any potency values to ensure interpretability. No target claims are made by the manufacturer in this listing.