YTX-465 - ≥99% , CAS No.2225824-53-1

CAS: 2225824-53-1 Cat. No.: Y646482 Formula: C₂₅H₂₆N₆O₃ Molecular Weight: 458.51 PubChem CID: 134477586

GRADE & PURITY ≥99%

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

YTX-465 is a stearoyl-CoA desaturase (Ole1/SCD) inhibitor. YTX-465 inhibits Ole1 and SCD1 with IC 50 s of 0.039 μM and 30.4 μM, respectively. YTX-465 can be used in the research of Parkinson’s disease and other synucleinopathies

In Vitro

YTX-465 (1-10000 nM) has an EC 50 value of 0.013 μM for α-synuclein (α-syn) toxicity rescue. YTX-465 (0.05 μM; 0-2 days) rescue the growth of α-Syn-expressing yeast. YTX-465 (0, 10, 40, 160, 640, 2500 nM; 4h) increases the level of Ole1 protein in wild-type yeast expressing OLE1 in a concentration-dependent manner, that indicate YTX-465 induce a negative feedback loop. YTX-465 (0, 0.03, 0.09, 0.27, 0.81 μM; 6 hours) reduces fatty desaturation in a concentration-dependent manner in wild-type yeast, with a 50% reduction in desaturation at 0.03 μM. YTX-465 (0.25 μM; 8 hours) decreases the desaturation index (DI) for all major classes of membrane phospholipids in wild-type yeast. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Ole1 0.039 μM (IC 50 ) SCD1 30.4 μM (IC 50 )

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

YTX-465 is a stearoyl-CoA desaturase (Ole1/SCD) inhibitor. YTX-465 inhibits Ole1 and SCD1 with IC 50 s of 0.039 μM and 30.4 μM, respectively. YTX-465 can be used in the research of Parkinson’s disease and other synucleinopathies.

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

Canonical Smiles

CC1=NN(C2=C1C=CC(=C2)C3=NOC(=N3)C4CCN(CC4)C(=O)CNC(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=NN(C2=C1C=CC(=C2)C3=NOC(=N3)C4CCN(CC4)C(=O)CNC(=O)C5=CC=CC=C5)C

PubChem CID

134477586

Molecular Weight

458.51

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (218.10 mM; Need ultrasonic)

Application Protocols

Validated application details are not provided for this item. The following is general, non–item-specific guidance for handling small molecules in screening workflows.

Example workflow (general guidance)

• Stock solution: Attempt dissolution at 10–50 mM in anhydrous DMSO under low light. Record concentration by weight-by-volume or quantitative NMR/UV if applicable.
• Plate handling: Dispense with acoustic or pin tools to minimize DMSO carryover. Include vehicle controls matching maximal solvent percentage.
• Assay setup: Prepare serial dilutions (e.g., 1:3 or 1:2) to define a full dose–response; run technical replicates and at least two independent biological repeats.
• Counterscreens: Incorporate orthogonal detection modalities to identify fluorescence/absorbance interference and colloidal aggregation (e.g., detergent sensitivity, dynamic light scattering, redox assays).
• Data quality: Monitor Z′-factor, signal window, and plate uniformity. Apply appropriate normalization and outlier handling.
• Stability checks: Reassess integrity of working solutions by LC–MS after assay completion.

Important

• No item-specific protocols (WB, IHC, IF, FC, enzymatic conditions) are claimed here. Consult the CoA/Spec Sheet and develop assay conditions empirically for your system.

Biological Roles

• Biological function/targets: Not specified for this item; refer to CoA/Spec Sheet or internal project documentation.

Context

• YTX-465 is provided as a research-use small molecule within a compound library. No endogenous biological role, pathway assignment, or target specificity is stated on this page.

General considerations for evaluating biological roles (not item-specific claims)

• Begin with unbiased profiling (broad panel biochemical screens, cellular phenotypic assays) to identify activity space.
• Follow with orthogonal assays and counter-screens to deconvolute artifacts (e.g., redox cyclers, aggregators, fluorescence interferers). Apply PAINS and aggregator filters judiciously, then confirm with experimental controls.
• If activity is confirmed, map to pathways using transcriptomics/proteomics and CRISPR/RNAi sensitization studies, as appropriate.
• Assess basic developability metrics early: solubility, stability in assay media, permeability, and metabolic stability.

Notes

• No claims of selectivity, potency, or MOA are made for this item. All findings should be established empirically and independently validated.

Buffer Applications

This product is a small-molecule library entry rather than a buffering reagent. Buffer preparation details (pH range, capacity, recipes) are not applicable.

Practical note

• Choose assay buffers based on the biology and detection modality (e.g., HEPES or PBS for enzyme/cell assays). Validate compound stability and solubility in the chosen buffer with appropriate vehicle controls.

Green Alternatives

Because YTX-465 is a discrete small molecule (not a solvent or bulk reagent), “green alternatives” primarily relate to the choice of handling solvents and diluents rather than substitution of the compound itself.

Greener handling choices (general guidance)

• Prefer lower-toxicity vehicles when feasible: ethanol or isopropanol can sometimes substitute for high-boiling aprotic solvents if solubility permits.
• Minimize DMSO percentage in assays to reduce solvent burden; validate equivalent performance.
• Use aqueous formulations with cyclodextrins or PEG-based cosolvents when compatible with the biology and compound stability.
• Scale appropriately: miniaturize screens and employ automation to reduce solvent consumption and waste.

Illustrative comparison (general, not item-specific)

• DMSO: Excellent solvency, broad compatibility; higher environmental/health burden; common default for stocks.
• Ethanol: More benign, volatile; lower solvency for highly lipophilic scaffolds.
• 2-propanol: Similar to ethanol with slightly different solvency; often acceptable for plate coating/rapid evaporation.
• PEG400 or HP-β-CD solutions: Facilitate aqueous delivery; may affect assay readouts—control carefully.

Important

• The solubility and stability of YTX-465 in any given vehicle are not specified for this item; verify experimentally and consult internal EHS guidance for solvent selection and waste minimization.

Pharmaceutical Uses

• Regulatory status: Not a pharmacopeial excipient or approved drug substance based on the information provided here.
• Intended use: For research use only; not for human or veterinary use.

Formulation context (general guidance)

• If used in preclinical research settings, delivery vehicles commonly include DMSO, ethanol, PEG400, aqueous cyclodextrin solutions, or lipid-based systems—subject to compound compatibility and institutional approvals.
• For in vitro experiments, keep solvent levels within system tolerances and confirm lack of interference with the assay readout.

Important

• No claims are made regarding therapeutic application, safety, efficacy, or manufacturability of YTX-465. Any preclinical formulation or exposure studies must be designed and reviewed under appropriate institutional guidelines.

Physical Properties

Item-specific physicochemical parameters are not disclosed on this page.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (BP): Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• logP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• pKa: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/general, not item-specific)

• Screening library small molecules are commonly formulated as DMSO stock solutions (e.g., 10–50 mM) when chemically compatible. Confirm solubility and stability experimentally for the specific lot.
• If aqueous work is planned, evaluate co-solvent systems (e.g., DMSO/H2O, ethanol/H2O) and control for solvent percentage in assays. Include vehicle controls.
• Light, oxygen, and moisture sensitivity can vary dramatically by structure; minimize exposure until lot-specific data are available.

Important

• Do not treat these general notes as specifications. For experiment planning, obtain the CoA/Specification Sheet for exact, lot-specific physical property data.

Quality & Grades

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

Context and expectations for screening compounds (general information)

• Typical characterization: Screening library molecules are commonly qualified by HPLC/UPLC purity and identity confirmation (e.g., HRMS, 1H NMR). Exact test panels vary by supplier and lot—verify on the CoA.
• Purity expectations: Discovery screening often targets ≥90–95% HPLC purity unless otherwise stated; preparative work or mechanistic studies may require higher purity. Confirm for this item via CoA.
• Counter-ions/salt form: If the compound is a salt, the counter-ion and assay-relevant mass correction factor should be specified on the CoA.
• Residual solvents/water: Karl Fischer and residual solvent data are lot-specific. For quantitative assays, review these on the CoA.
• Stabilizers: Not specified for this item; refer to CoA/Spec Sheet. If a stabilizer is present, consider its impact on biological assays or spectroscopic analyses.

How to choose a suitable grade

• Early screening: standard screening-grade with documented purity and identity.
• SAR/lead optimization: tighter impurity profiles, verified polymorph/salt form when relevant.
• In vitro ADME or biophysical assays: low non-volatile residue (NVR) solvents and precise purity reporting (area% and mass balance).

For definitive, lot-specific quality attributes, request and review the CoA/Specification Sheet before critical experiments.

Reaction & Applications

Intended use

• YTX-465 is listed within a small-molecule/compound library and is intended for research screening and discovery applications. It is not positioned primarily as a synthetic reagent on this page.

Representative research applications (general guidance, not item-specific claims)

• Biochemical/biophysical screening: Evaluate as part of target-based assays (enzymatic inhibition/activation, binding assays such as SPR, MST, DSF). Establish dose–response curves and controls.
• Cell-based phenotypic assays: Probe cellular pathways with appropriate viability and off-target panels; measure on-target phenotypes alongside orthogonal readouts.
• Chemoproteomics and target deconvolution workflows: If activity is observed, derivatization or affinity tagging may be pursued to identify binding partners (structure- and IP-dependent).
• Structure–activity relationship (SAR) programs: If the structure is available to your project, YTX-465 can serve as a reference for analog design and profiling.

Not primarily applicable

• Named-reaction participation and reagent roles (e.g., nucleophile, coupling partner) cannot be described without structural disclosure.

Good practices

• Confirm identity/purity by independent LC–MS prior to critical studies.
• Benchmark against known actives/inactives and incorporate vehicle controls.
• Track lot numbers to ensure data traceability.

Note

• Any mechanistic or target assignments must be established experimentally; none are provided for this item.

Reaction Conditions

This section is not typically applicable. YTX-465 is supplied as a small-molecule screening compound, not as a reagent for carrying out named organic reactions.

• Solvent, temperature, catalyst, and yield ranges: Not specified for this item; refer to CoA/Spec Sheet if any synthetic route notes are provided for background only.

Recommendation

• If you intend to derivatize or scale up synthesis, obtain the structure and, if available, literature references or internal route data. Develop conditions empirically with small-scale scouting studies.

Safety & Handling

Safety information specific to this item is not provided here. Handle conservatively and consult the SDS when available.

• GHS classification: Not specified for this item; refer to CoA/Spec Sheet and SDS.
• Signal word / H-statements / pictograms: Not specified for this item; refer to SDS.

Best practices (general laboratory guidance)

• Personal protective equipment: lab coat, safety glasses, and suitable chemical-resistant gloves. Use a fume hood to avoid inhalation of vapors/particulates.
• Avoid exposure to heat and light per product storage note; limit air/moisture exposure until stability is confirmed.
• Prevent cross-contamination: use clean, dry tools; dedicate pipette tips for organic solvents.
• First aid (general): if skin/eye contact occurs, rinse with water for at least 15 minutes and seek medical advice. If inhaled, move to fresh air. If ingested, seek medical attention immediately. Always follow institutional protocols.
• Incompatibilities: Unknown for this item; avoid strong oxidizers/reducers, strong acids/bases until compatibility is established.
• Waste disposal: Collect in halogenated/non-halogenated organic waste as appropriate to the solvent matrix used; follow local regulations.

Storage & transport

• Store protected from light at −80°C as specified. Shipments are supplied on dry ice + cold packs. Minimize freeze–thaw by aliquoting upon first use.

Authoritative source

• Defer to the SDS and CoA for definitive hazard, toxicological, and handling instructions for the specific lot.

Solvent Selection

Item-specific solubility and polarity are not provided. Use a tiered approach to identify a compatible vehicle, starting with small-scale tests.

General strategy (not item-specific)

• Stock preparation: Trial dissolution at 10–50 mM in anhydrous DMSO; sonication and gentle warming (≤40°C) may help. If insoluble, attempt NMP, DMF, ethanol, or isopropanol. Record final concentration and clarity.
• Aqueous delivery: Dilute DMSO stocks into assay buffer while keeping final DMSO ≤0.1–1% v/v as tolerated by the system. Include matched vehicle controls.
• Alternative vehicles: PEG400, 20–40% hydroxypropyl-β-cyclodextrin, or Tween 80 can improve apparent solubility for certain scaffolds; confirm compatibility with your assay.
• Light-sensitive materials: Prepare and handle under reduced light; use amber vials/syringes as indicated by the product storage note.

Practical tips

• Use predried, oxygen-reduced solvents if the compound is air/moisture sensitive (unknown for this item—test conservatively).
• Filter cloudy solutions using PTFE or PVDF (0.22–0.45 μm) if compatible; avoid adsorptive membranes for lipophilic compounds.
• Assess stability by LC over time (bench vs refrigerated autosampler) to set working windows.

Important

• Solubility, pKa, and logP for YTX-465 are not specified for this item; refer to CoA/Spec Sheet. Validate solvent choice empirically for your lot.

Storage & Reconstitution

Item-specific storage conditions

• Storage: Protected from light, store at −80°C.
• Shipping: Dry ice packs + cold packs.

Reconstitution and handling (general guidance; not item-specific specifications)

• Thawing: Allow the vial to equilibrate to room temperature in a desiccated, dark environment before opening to prevent condensation.
• Solubilization: If compatible, prepare a concentrated stock in anhydrous DMSO; alternatively evaluate ethanol, DMF, or NMP as needed. Confirm solubility experimentally.
• Aliquoting: Immediately subdivide into single-use aliquots in amber vials or light-protective tubes to minimize freeze–thaw cycles and photodegradation.
• Working solutions: Prepare fresh on the day of use when possible. Keep cold and protected from light during setup. Avoid prolonged exposure at room temperature unless stability has been verified.
• Freeze–thaw: Minimize to preserve integrity; track aliquot history.

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

• Appearance, exact solvent compatibility, concentration limits, and long-term stability data.

Documentation

• Record lot number, preparation date, solvent, and concentration on each aliquot. For critical studies, confirm identity and purity by LC–MS or HPLC prior to use.

Note

• For authoritative, lot-specific stability and handling details, consult the CoA and SDS.

Structure & Identity

Brief overview: YTX-465 (SKU Y646482) is supplied as a research-use small molecule entry in our screening compound library. Structural specifics are not disclosed on this page.

• Product name: YTX-465
• SKU: Y646482
• CAS: 2225824-53-1
• PubChem CID: 134477586
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• 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 description (ring systems, functional groups, stereochemistry): Not specified for this item; refer to CoA/Spec Sheet.

Notes

• This product is listed within a small-molecule/compound library category and is intended for discovery screening and related research workflows. If you require full structure disclosure, spectral data, or identifiers (InChI, SMILES), please request the detailed CoA/Specification Sheet for the specific lot.

Synthetic Utility

YTX-465 is offered as a discrete screening compound rather than a building block or reagent. Without disclosed structural information, synthetic transformations and reactivity cannot be meaningfully described.

Not specified for this item

• Functional groups, reactive handles, protecting-group strategies: Not specified for this item; refer to CoA/Spec Sheet.

General guidance if derivatization is contemplated (not item-specific)

• Once the structure is available, identify vectors amenable to modification (e.g., para-phenyl positions, heteroatom substituents) for SAR or probe development.
• Consider late-stage diversification tactics: C–H functionalization, cross-couplings from aryl halides/boronates if present, or amide couplings from carboxylate/amine handles.
• Confirm that IP and license terms permit derivative synthesis.

Conclusion

• No specific synthetic roles can be assigned to YTX-465 based on the current data. Request structural documentation if synthetic campaigns are planned.

Target Specificity

• Target(s) or pathway: Not specified for this item; refer to CoA/Spec Sheet.
• Selectivity profile, species reactivity, binding constants: Not specified for this item; refer to internal screening data if available.

Note

• As a library small molecule, YTX-465 should be treated as target-agnostic until experimental data indicate otherwise.

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?80 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 2225824-53-1, the molecular formula is C25H26N6O3, and the molecular weight is 458.51 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.