SCH 900229 , CAS No.1100361-36-1

CAS: 1100361-36-1 Cat. No.: S1444433 Formule: C₂₁H₂₁ClF₂O₆S₂ Poids moléculaire: 506.97

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

SCH 900229 is a potent γ-secretase inhibitor with selective activity against PS1. The Aβ40 IC50 value of SCH 900229 is 1.3 nM, showing its excellent ability in reducing Aβ. SCH 900229 has shown good Aβ-lowering effects after oral administration in preclinical animal models. SCH 900229 has been advanced to human clinical trials for further development of compounds for the inhibition of Alzheimer's disease.

Specifications

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Noms et identifiants

• Poids moléculaire: 506.97

Application Protocols

No item-specific, validated application protocols are provided for SCH 900229. The following procedures reflect general best practices for small-molecule inhibitors/modulators in discovery research and should be adapted based on your assay and any structure-specific information you obtain.

General biochemical enzyme assay (non-item-specific):

• Prepare a 10 mM DMSO stock; confirm solubility visually and by LC–MS. Serially dilute in DMSO to create a half-log or 3-fold series.
• Add to assay buffer to reach final compound concentrations with 0.1–0.5% DMSO constant across wells. Include no-compound and vehicle controls.
• Preincubate compound with enzyme (5–30 min) if mechanism suggests slow binding. Initiate reaction and monitor readout. Fit dose–response to obtain IC50; execute controls to detect aggregation (0.01–0.05% detergent).

General cell-based assay (non-item-specific):

• Confirm stock sterility by 0.22 μm filtration if appropriate. Dose cells with compound across a concentration range; keep DMSO ≤0.2–0.5%.
• Include cytotoxicity counterscreen (e.g., ATP or resazurin assay) and pathway-relevant positive controls.

Data quality tips:

• Use at least 3 technical replicates and 2–3 biological replicates.
• Record lot number, stock age, and exact solvent composition; compound stability in DMSO can affect results.

Note: Adapt solvent percentages and incubation times to your system. Always confirm identity/purity prior to critical experiments.

Biological Roles

Item-specific biological target, mode of action, and pathway information for SCH 900229 are not provided in the Product Data. No therapeutic or clinical claims are made; this material is provided strictly for research use.

General research context for small-molecule screening compounds (non-item-specific):

• Potential roles: chemical probe candidates for modulating enzyme activity, receptor/ion channel function, or protein–protein interactions in biochemical or cell-based assays.
• Use cases: tool compounds for hypothesis testing, pathway mapping, and phenotypic screening; references in SAR campaigns when a target is known.
• Selectivity: Must be established empirically (e.g., counter-screens across related isoforms/families; off-target panels). Absent vendor-verified data, do not assume selectivity or potency.
• ADME profiling (in vitro): Solubility, permeability (PAMPA/MDCK), microsomal stability, and plasma protein binding can inform dose selection in cell studies; these are experiment- and structure-dependent and are not specified for this item.
• Aggregation/artifact risk: Some hydrophobic compounds can form colloids causing non-specific inhibition. Use detergent controls (e.g., 0.01–0.05% Tween-20/NP-40) and orthogonal assays to mitigate.
• Photoreactivity/redox: Aromatic nitro/azo/quinone motifs (if present) may introduce photoreactivity or redox cycling; verify structure before light-sensitive experiments.

Recommendation: If your study relies on a defined biochemical target or potency value (IC50/Ki/EC50), please obtain target-specific information from your internal records or request supporting documentation (CoA/Spec Sheet, literature) for SCH 900229.

Buffer Applications

This item is not a buffering reagent. However, buffer selection can strongly influence the performance of small-molecule compounds in biochemical and cell-based assays. The following guidance is general and not item-specific.

General buffer considerations (literature/practice):

• Enzymatic assays: Choose buffers with minimal interaction with active sites or metal cofactors (e.g., HEPES, Tris, or phosphate depending on enzyme). Maintain ionic strength (50–200 mM total salts) to stabilize proteins.
• pH control: If the compound is ionizable, buffer near a pH that balances solubility and biological relevance (often pH 7.2–7.5 for mammalian enzymes/cells). Perform a pH/solubility scout.
• Additives: 0.01–0.05% non-ionic detergent can reduce nonspecific adsorption and aggregation. Include BSA (0.01–0.1%) if compound stickiness is suspected.
• DMSO content: Keep uniform across wells/conditions (commonly 0.1–0.5% v/v) to avoid solvent-induced artifacts; prepare solvent-matched controls.
• Light/oxidation: If the compound is light- or oxygen-sensitive, protect plates with foil and degas buffers if needed.

Practical tips:

• Filter sterilize cell-culture-compatible buffers (0.22 μm) and pre-warm to 37°C before dosing cells.
• Pre-rinse plasticware with buffer containing the same co-solvent to reduce compound adsorption.
• Verify that buffer components do not spectrally interfere with readouts (e.g., avoid high Tris near 280 nm absorbance in UV assays).

Green Alternatives

Because SCH 900229 is a discrete small molecule (not a solvent or bulk reagent), “green alternative” considerations primarily apply to the choice of solvents and assay media used to dissolve and deliver it, not to the compound itself.

General solvent selection with greener principles (literature/practice — not item-specific):

• Prefer ethanol or water-based systems where solubility/assay compatibility permit, reducing reliance on dipolar aprotics.
• Keep DMSO minimal in final assays (≤0.5% v/v typical) to limit environmental load and cell stress, while retaining solvating power.
• Avoid DMF/NMP when possible due to stricter EHS profiles; if required, contain and properly dispose of waste.

Illustrative comparison (not item-specific):

• Ethanol vs DMSO: Ethanol is generally considered greener and easier to remove, but offers lower solvating power and can perturb proteins at lower percentages.
• Aqueous buffer + solubilization aids vs neat aprotic solvents: Reduces hazardous solvent volume but may require optimization to avoid assay interference.

Operational best practices:

• Use micro-scale assay development to minimize solvent volumes.
• Consolidate compatible waste streams to optimize disposal.
• Store concentrated stocks to reduce repeated solvent use and shipping frequency (while observing stability and freeze–thaw best practices).

If you need guidance tailoring greener solvent systems to this specific compound, perform a small solubility/stability screen across ethanol, DMSO (control), and buffered aqueous media and adopt the least hazardous system that meets performance.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing use is provided for SCH 900229 in the Product Data. This product is supplied strictly for research use only and is not intended for human or veterinary use, clinical applications, or formulation development destined for administration.

General, non-item-specific context for small molecules in pre-formulation research:

• Solubility and stability screening in biorelevant media (FaSSIF/FeSSIF, pH 1–8 buffers) may be conducted during discovery; such data are not provided here.
• Salt/cocrystal exploration is sometimes used to improve solubility and solid-state properties; do not assume any particular salt form unless stated on the CoA.
• Excipient compatibility (e.g., with polysorbates, cyclodextrins) and forced-degradation studies (acid/base, oxidative, photolysis) are common discovery practices but are not item-specific here.

If your work requires pharmaceutical-development-grade documentation (ICH stability, GMP traceability, residual solvent limits), this catalog item is not positioned for that purpose. Contact us regarding custom synthesis or sourcing with defined GMP/compliance attributes.

Physical Properties

Only item-specific storage logistics are provided. Do not infer missing specifications.

Item-specific data from Product Data:

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight (exact): Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Melting/boiling point, density, refractive index, pKa, logP/logD, UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.

General expectations for small-molecule library solids (literature/practice — not item-specific):

• Physical state: Many screening compounds are crystalline or amorphous solids; some may be low-melting powders or semi-solids.
• Solubility: Often soluble in polar aprotic solvents (DMSO, DMF, NMP); aqueous solubility may require co-solvent or pH adjustment depending on ionizable groups.
• Hygroscopicity/photosensitivity: Variable; protect from moisture and light until confirmed.
• UV/Vis: Most drug-like chromophores absorb in 200–350 nm; exact spectra depend on substitution pattern.

Analytical qualification (general guidance):

• Identity: 1H/13C NMR, HRMS/ESI, and LC–MS retention time against reference.
• Purity: HPLC/UPLC at multiple wavelengths (e.g., 210, 220/230, 254, 280 nm). Consider ELSD if weak chromophore is suspected.
• Solid-state: DSC/TGA and Karl Fischer titration to assess polymorph/water content where relevant.

Always defer to the current CoA/Spec Sheet for lot-specific specifications.

Quality and Grades

Item-specific quality grade and purity are not listed in the Product Data.

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

Guidance on interpretation (general, not item-specific):

• Library/screening compounds are commonly supplied at synthetic or purified research grade, often accompanied by HPLC purity and LC–MS identity. However, do not assume a threshold (e.g., ≥95% by HPLC) without consulting the actual CoA.
• If UV transparency is critical (e.g., for photophysical studies), request UV–Vis trace and impurity profile; “HPLC grade” descriptors used for solvents do not apply to solids unless explicitly stated.
• If a stabilizer or counter-ion is present, it will be declared on the CoA/SDS. Presence of a salt form (e.g., HCl, TFA) changes molecular weight and solubility; verify prior to dosing calculations.
• Lot-to-lot consistency: Confirm identity/purity on receipt when your application is sensitive (enzyme kinetics, biophysics). Retain retain-samples and spectra in your ELN for traceability.
• If chiral: Where relevant, enantiomeric ratio (er) or optical rotation may be reported. Absent such data, do not presume enantiopurity.

Action items: Obtain and review the current CoA/Spec Sheet for this SKU/lot to confirm purity, residual solvents, salt form, and any stabilizer information before critical studies.

Reaction and Applications

This product is intended as a small-molecule research compound for screening/profiling, not as a synthetic reagent.

Item-specific reactive functionality and use in named organic reactions are not provided; therefore, no reaction chemistry claims can be made for this item.

General comments (non-item-specific):

• If you intend to derivatize or immobilize the compound (e.g., to make an affinity probe), obtain full structural information (SMILES/InChI) and assess functional handles (amines, alcohols, halides) and stability to coupling conditions.
• For SAR or analog synthesis, confirm scaffold identity and substitution pattern from the CoA/Spec Sheet or primary literature, then plan transformations compatible with any sensitive motifs (e.g., avoid strong base for acid-labile heterocycles, avoid oxidants for thioethers).

Primary application space for compounds in this catalog category:

• Biochemical and cell-based assay screening, target validation, and phenotypic profiling.
• Reference control in mechanistic studies once target-specificity is independently verified.

If you require a reagent-grade building block rather than a finished screening compound, consult our synthetic intermediates and building block categories for materials with fully disclosed functional-group reactivity.

Reaction Conditions

Not typically applicable. SCH 900229 is supplied as a research compound for biological screening rather than as a reagent to promote or undergo standard named reactions under prescribed conditions.

If you intend to use the compound in chemical transformations (e.g., as a substrate or for derivatization), first obtain full structure and functional-group information from the CoA/Spec Sheet. Then establish feasibility through small-scale scouting:

• Solvent: Screen polar aprotics (DMSO, DMF, NMP), alcohols, and hydrocarbons as appropriate to the functional groups present.
• Temperature: Begin at ambient; escalate cautiously while monitoring stability by LC–MS.
• Catalysts/bases/acids: Choose based on the identified functional handles (e.g., Pd for cross-coupling of aryl halides; carbodiimides for carboxylate couplings); verify compatibility with potentially labile motifs.
• Workup: Quench to neutral pH, extract with suitable solvents, and purify by flash chromatography or preparative HPLC as needed.

Because structure-specific parameters are unknown here, no yields or specific conditions can be responsibly recommended.

Safety and Handling

Use standard precautions for small organic research compounds. Hazard classification is not provided here; consult the SDS for authoritative guidance.

Item-specific hazard data from Product Data:

• Signal word: 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.
• Storage conditions: Store at −20°C (item-specific). Shipments are sent cold (ice chest + ice pads).

General lab safety (non-item-specific):

• PPE: Lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Avoid inhalation of dust/aerosols; handle powders in a fume hood or ventilated enclosure.
• Incompatibilities: Unknown for this item. As a precaution, segregate from strong oxidizers, strong acids/bases until compatibility is established.
• Handling: Allow vial to equilibrate to room temperature in a desiccator before opening to minimize moisture condensation. Immediately recap after dispensing. Consider working under dry nitrogen for moisture-sensitive materials.
• First aid (overview; defer to SDS): If inhaled, move to fresh air; if on skin or in eyes, rinse with water for 15 minutes; if ingested, seek medical attention. Provide SDS to responders.
• Spill/accidental release: Avoid dust; cover with inert absorbent, collect for disposal as organic hazardous waste.
• Waste: Dispose in accordance with institutional and local regulations; incineration of organic residues is typical.

Note: Without item-specific hazard data, treat as potentially harmful. For research use only.

Solvent Selection

Item-specific solubility data are not provided. The following is general, literature-based guidance for small-molecule screening compounds and should be validated empirically for SCH 900229.

Primary stock solutions (general practice):

• DMSO is the default solvent for 10–50 mM stocks due to broad solvating power and assay compatibility at ≤0.5–1% v/v final.
• Alternatives if DMSO is unsuitable: DMF or NMP (high solvating strength); ethanol or isopropanol for less polar compounds; mixtures with water or buffers as tolerated.

Aqueous work: strategies to reach target assay concentrations

• Use co-solvent (e.g., 0.1–1% DMSO or ethanol) and gentle warming/sonication.
• Adjust pH if the compound is ionizable (acidic or basic groups); prepare buffered solutions at pH favoring ionized state to increase solubility, while considering assay biology.
• Employ carriers when appropriate (e.g., minimal cyclodextrin, 0.01–0.1% non-ionic surfactant) after confirming no interference.

Solvent selection matrix (literature/practice — not item-specific):

• Polar aprotic (DMSO, DMF, NMP): maximize solubility; good for plate stocks; verify cytotoxicity limits in cells (typically keep ≤0.5% v/v).
• Protic (MeOH, EtOH, iPrOH): easier evaporation; watch for protein denaturation in biochemical assays.
• Aqueous buffers: best biological relevance; may require co-solvent. Filter sterilize if used in cell assays.

Tips:

• Perform a solubility screen (DMSO, DMF, ethanol, buffer pH 5–9) at small scale.
• Record exact solvent lot and water content; DMSO hygroscopicity can change apparent solubility and stability.

Storage and Reconstitution

Item-specific conditions (from Product Data):

• Storage temperature: Store at −20°C.
• Shipping: Ice chest + ice pads to maintain cold chain.

Reconstitution and handling (general best practices — not item-specific):

• Equilibrate the sealed vial to room temperature in a desiccator before opening to avoid moisture condensation.
• Prepare concentrated stocks in an appropriate solvent (commonly DMSO for screening compounds). Typical starting concentration: 10–50 mM, contingent on solubility.
• Filter stocks (0.22 μm PTFE) if particulate is observed and if compatible with solvent and downstream use.
• Aliquot into low-bind, inert microtubes to minimize headspace and adsorption. Avoid repeated freeze–thaw cycles; store aliquots at −20°C or −80°C depending on stability data.
• Light/air sensitivity: If unknown, protect from light (amber vials/foil) and consider inert gas backfill for long-term storage.

Stability monitoring (non-item-specific):

• Periodically check stock integrity by LC–MS/HPLC (look for new peaks) and by a quick functional assay if available.
• Note that DMSO absorbs water over time; high water content can accelerate hydrolysis for moisture-sensitive compounds. Use anhydrous solvent when feasible and limit vial openings.

Aqueous working solutions:

• Prepare fresh on the day of use when possible. Maintain consistent co-solvent (e.g., DMSO 0.1–0.5% v/v) across samples and controls.

For any missing item-specific details (e.g., exact solubility, stability, formula, MW), consult the current CoA/Spec Sheet and SDS.

Structure and Identity

Brief overview: SCH 900229 is supplied as a small-molecule screening/compound-library member. The discovery-style code (SCH) suggests origin as a research lead/chemical probe. Item-specific structural identifiers are not provided here.

• CAS: 1100361-36-1 (item-specific)
• SKU: S1444433 (item-specific)
• Product name: SCH 900229 (item-specific)
• 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.
• Synonyms: Not specified for this item; refer to CoA/Spec Sheet.

Structural description (general guidance):

• Specific functional groups, ring systems, and stereochemistry are not available in the provided Product Data. If your work requires unambiguous structural identity (e.g., for SAR, docking, or analytical qualification), request the current CoA/Spec Sheet and/or SDS to obtain definitive identifiers (SMILES/InChI).
• For cheminformatics registration: use the CAS and any internal lot-specific structure string (when available) to avoid ambiguity across lots. If multiple tautomers/protonation states are plausible, define normalization rules in your ELN/ChemReg system (general practice).

Synthetic Utility

This product is offered as a finished small-molecule research compound rather than as a synthetic building block or reagent. Item-specific functional groups and reactivity are not disclosed in the Product Data; therefore, no specific synthetic transformations can be recommended.

General considerations if derivatization is planned (non-item-specific):

• Establish structure unequivocally (SMILES/InChI, NMR, HRMS) before planning modifications.
• Identify potential handles (e.g., anilines, phenols, halides, carboxylates) for coupling to tags, linkers, or solid supports.
• Assess stability toward common conditions (acid/base, oxidants/reductants, metal catalysts) using small-scale tests before committing to route design.
• For probe development, consider bioorthogonal tags (alkynes/azides) introduced at positions shown by SAR to tolerate substitution, followed by CuAAC or strain-promoted click chemistry.
• For immobilization, plan spacer length and linker chemistry (e.g., NHS esters for amines, epoxy resins for alcohols) to preserve binding.

If a building-block version of this scaffold is required, reach out with the desired functionalization pattern; we can help identify or prepare suitable precursors with fully specified reactivity data.

Target Specificity

Item-specific biological target, binding mode, and selectivity data are not provided for SCH 900229.

• Antigen/epitope: Not applicable (small molecule; not an antibody/biologic).
• Target name/class: Not specified for this item; refer to CoA/Spec Sheet or internal project documentation.
• Species reactivity and cross-reactivity: Not applicable. For small molecules, species differences arise from target homology and ADME; these must be determined experimentally.

General guidance (non-item-specific):

• Establish potency and selectivity using a tiered screening cascade: primary activity assay, close homolog panel, broad off-target panel (e.g., kinases, GPCRs, CYPs as relevant).
• Confirm on-target mechanism with orthogonal methods (e.g., CETSA/DSF for target engagement, genetic knockdown/overexpression controls, CRISPR rescue experiments).
• For cell assays, verify that observed phenotypes are compound-driven and not solvent- or cytotoxicity-driven by including solvent-matched and inactive-analog controls.