BI-1408 , CAS No.2231075-94-6

CAS: 2231075-94-6 Cat. No.: B1447623 Formula: C₂₂H₂₃FN₆ Molecular Weight: 390.46

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

BI-1408 is a potent γ secretase modulator with an IC 50 of 0.04 μM for Aβ 42.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

MODULATOR

Names and Identifiers

Molecular Weight

390.46

Application Protocols

There are no validated application protocols provided for BI-1408 in this listing.

General handling protocols for library compounds (for in vitro research only):

• Stock preparation:
  • Allow vial to equilibrate to room temperature in a desiccator before opening.
  • Dissolve in anhydrous DMSO to a typical concentration of 10–50 mM (verify solubility empirically). Filter through 0.22 µm PTFE if particulate is observed.
  • Aliquot into low-bind tubes (e.g., 10–50 µL) to minimize freeze–thaw cycles; label with lot, concentration, and date.
• Assay dosing:
  • Prepare serial dilutions in DMSO, then back-dilute into assay buffer to achieve final solvent ≤0.5–1% v/v.
  • Include vehicle controls and, where relevant, positive/negative chemical controls.
• Stability checks:
  • Inspect for precipitation or color change after dilution; confirm concentration by UV (if chromophore known) or LC–MS.
• Documentation:
  • Record exact masses, solvent batches, and dilution schemes for reproducibility.

For target-specific or platform-specific protocols (e.g., enzymology, biophysics, or cell-free systems), adapt the above to your assay requirements. No item-specific, validated conditions are supplied here.

Biological Roles

No biological function, target, or pathway information is provided for BI-1408. As listed, it is a research-use-only small molecule without assigned biological roles in this catalog entry.

Context (general, non-clinical):

• Library compounds are often explored for biochemical target engagement, binding kinetics, or modulation of enzymatic activity in vitro. Any such role for BI-1408 has not been specified and must not be inferred without data.
• If you have internal screening results, relate observed activity to physicochemical properties (e.g., lipophilicity, ionization state) to rule out assay interference patterns.
• Assess potential pan-assay interference (PAINS) or aggregation tendencies using orthogonal assays and detergent controls; without structure, no PAINS evaluation can be performed here.

Recommended due diligence:

• Determine reversibility and concentration dependence of any observed effects.
• Confirm activity across counterscreens and in presence of redox/cysteine scavengers if thiol-reactivity is suspected.
• Use orthogonal biophysical methods (e.g., DSF, MST, SPR) to validate binding when applicable.

Note: No biological or clinical claims are made for BI-1408. For any proposed biological role, rely on your own experimental data and consult the CoA/Spec Sheet for structural confirmation.

Buffer Applications

BI-1408 is not a buffering agent, and no buffer-related constants (pKa values or buffering ranges) are provided.

Practical notes for using small molecules in buffered systems (general guidance):

• Vehicle control: When dosing DMSO stocks into buffers (e.g., PBS, HEPES, Tris), include matched vehicle controls to account for solvent effects.
• Precipitation avoidance: Add compound stock slowly to vigorously stirred buffer or pre-dilute with an intermediate solvent (e.g., 50% DMSO in water) before final dilution to minimize local supersaturation.
• Surfactants: If permitted by your assay, 0.01–0.05% non-ionic surfactant (e.g., Tween 20 or Pluronic F-68) can reduce aggregation and adsorption to plastics.
• pH considerations: If the compound is weakly acidic/basic (information not provided here), solubility and charge state will vary with pH; adjust buffers accordingly once pKa is known from the CoA or internal measurements.
• Filtration: Use low-protein-binding, hydrophilic PVDF or PES filters for final working solutions; avoid adsorption-prone materials for low nM–µM concentrations.

Since BI-1408 has no specified buffering capacity, select your buffer system based on assay biology and analytical compatibility rather than on properties of this compound.

Green Alternatives

Because the chemical structure and use-case of BI-1408 are not specified, green chemistry considerations focus on handling and solvent choices rather than substitution of the compound itself.

Greener handling strategies (general guidance):

• Solvent minimization: Use high-concentration DMSO stocks to reduce solvent volumes in assays. Aim for ≤1% DMSO in final assay wells.
• Preferred solvents: Where feasible, favor ethanol or water-based systems over dipolar aprotics (DMF/NMP) due to improved EHS profiles. Validate assay tolerance.
• Micro-scale operations: Employ miniaturized screening formats (384/1536-well) to cut waste per data point.
• Energy efficiency: Store as recommended but perform solubility/stability tests at room temperature when possible to reduce refrigeration load.
• Waste management: Segregate halogenated vs non-halogenated organic waste to facilitate appropriate disposal.

Illustrative comparison (general solvent perspective):

• Ethanol/water: Renewable, lower toxicity; may limit solubility for hydrophobic compounds.
• 2-MeTHF/CPME (for synthetic steps, if structure warrants): Greener ethers compared to THF/Et2O; however, not generally used in bioassays.
• DMSO: Excellent solubilizer; moderate EHS profile; widely accepted in screening with low volumes.

To pursue greener alternatives at the molecular level (e.g., scaffold hopping to reduce hazard), the specific structure and hazard profile of BI-1408 would be required.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation guidance is provided for BI-1408. This product is supplied strictly for research use only and is not intended for human or veterinary use, diagnostic procedures, or clinical applications.

General context for small molecules in preformulation research (non-clinical):

• Solubility profiling: If progressing in discovery workflows, determine equilibrium solubility (shake-flask) across pH 2–9 and various biorelevant media. These data are not provided here for BI-1408.
• Solid-form screening: Polymorph, salt, and cocrystal screening may be used to optimize stability and solubility; exact solid state for this item is not specified.
• Stability: Conduct forced-degradation studies (acid/base, oxidative, thermal, photolytic) to map degradation pathways. No stability data are provided in this listing.
• Excipients: If evaluating in non-clinical formulations (e.g., oral gavage in animals), typical vehicles include PEG400, Captisol, or Tween-containing systems; suitability must be established experimentally and in accordance with institutional approvals.

Important: Do not use BI-1408 in any clinical setting. For any consideration beyond in vitro research, comprehensive safety, quality, and regulatory data would be required and are not supplied here.

Physical Properties

Item-specific physico-chemical data are not provided in this listing. Do not treat the following placeholders as specifications; consult the CoA/Spec Sheet for authoritative values.

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

Practical guidance (general, literature-based for small organic molecules):

• Stock solutions: Many screening compounds are supplied as solids formulated for dissolution in anhydrous DMSO at 10–50 mM (literature/general practice). Verify solubility experimentally starting at 5–10 mM.
• Aqueous handling: If BI-1408 is neutral and lipophilic, anticipate limited water solubility; co-solvent strategies (DMSO ≤1–2% v/v in assay buffers) are common. If ionizable, adjust buffer pH relative to pKa to enhance solubility (general guidance).
• Hygroscopicity and polymorphism can affect handling and assay behavior; check the lot-specific CoA for notes.

Analytical confirmation:

• Use LC–MS (ESI±) for quick solubility and stability checks in intended media.
• If a UV chromophore is expected, scan 200–400 nm to set detection wavelengths; exact UV cutoff is not specified for this item; refer to CoA/Spec Sheet.

Quality & Grades

Grade/purity descriptors for this item are not provided in the listing.

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

Interpreting typical library compound quality (general guidance):

• Purity metrics: Small-molecule library items are commonly provided at ≥95% by HPLC/UPLC (UV or ELSD), with LC–MS identity confirmation. Verify the analytical method (gradient, detection wavelength) and report basis (area% vs weight%).
• Residual solvents and water: Karl Fischer water and residual solvent profiles may be provided on the CoA; if application is assay-sensitive (e.g., electrophysiology), consider additional drying under vacuum.
• Salts and form: Library compounds may be free base/acid or a defined salt form. The counterion can influence solubility and stability; confirm the exact form.
• UV suitability: If used for HPLC-based assays, low UV background and clean chromatograms are desirable; however, specific UV cutoff and chromophore data for BI-1408 are not specified.
• Lot traceability: Maintain lot-number linkage to internal results. When screening, retain a small aliquot for retrospective re-analysis.

Recommendation: Request the CoA/Spec Sheet for BI-1408 (CAS 2231075-94-6) for definitive grade, purity, analytical methods, and any stabilizers present.

Reaction & Applications

No manufacturer application notes beyond “For research use only” are provided. Without structural information, synthetic reaction roles for BI-1408 cannot be specified.

General research uses for library small molecules (non-clinical, non-therapeutic):

• Screening and hit identification: Employed as test articles in biochemical, biophysical, or cell-free assays to probe target engagement or pathway modulation. Record exact lot and stock concentration for reproducibility.
• Assay development: Used to validate assay window, dynamic range, and compound-handling workflows (solubility, adsorption, carryover).
• Mechanistic probes: With structure in hand, analog series can be assembled to explore SAR; however, specific mechanistic roles for BI-1408 are not defined here.

Practical tips:

• Prepare fresh aliquots to minimize freeze–thaw cycles that may induce degradation.
• Confirm identity and purity by LC–MS before critical experiments. If impurities co-elute, re-purification by preparative HPLC may be warranted.
• Monitor stability of working solutions by periodic LC–MS or UPLC-UV, especially in aqueous buffers or light-exposed conditions.

If you intend to use BI-1408 as a reagent or building block in synthesis, request the structural details from the CoA/Spec Sheet first; only then can appropriate transformations (e.g., cross-coupling, amide formation) be planned with confidence.

Reaction Conditions

No reaction condition guidance can be provided without structural and functional group information for BI-1408.

General methodological notes (for small-molecule manipulations once structure is known; literature-derived guidance):

• Cross-coupling (if aryl/vinyl halides present): Pd-catalyzed Suzuki–Miyaura (base: K2CO3–Cs2CO3; solvents: toluene/EtOH/H2O or dioxane/H2O; 60–100 °C). Buchwald–Hartwig for C–N formation (ligand/catalyst tuned to substrate electronics).
• Amide formation (if acid/amine present): EDCI/HOBt or HATU/DIPEA in DMF/MeCN/DCM at 0–25 °C; monitor for epimerization if chiral centers exist.
• Reductive amination (if carbonyl/amine present): NaBH3CN or BH3·THF; MeOH/THF; pH 5–6 with AcOH.
• Heteroaromatic N-oxides (if present): PCl3 or POCl3-mediated deoxygenation; controlled conditions.
• Protection/deprotection: Boc (tBuOCOCl/DMAP) removal with TFA; Fmoc removal with secondary amines.

These are illustrative, literature-level conditions and are not specific to BI-1408. Do not apply without confirming substrate compatibility. For BI-1408, consult the CoA/Spec Sheet to determine whether any of these transformations are relevant.

Safety & Handling

Safety data specific to BI-1408 are not provided in this record and must be taken from the product SDS.

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / H-statements / Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions for small organic molecules (research use only):

• PPE: Wear lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Avoid inhalation of dust/aerosols and prevent skin/eye contact.
• Engineering controls: Use in a fume hood; minimize open handling of powders to prevent dusting.
• Incompatibilities: Until functional groups are known, avoid strong oxidizers, strong acids/bases, and reactive reducing agents. Segregate from peroxides and nitrating agents as a precaution.
• Handling solids: If supplied as a powder, gently tap-tube or briefly centrifuge before opening to avoid loss. For hygroscopic materials, work quickly with desiccation.
• DMSO stocks: DMSO can enhance dermal absorption; avoid skin contact and wear gloves when preparing stocks.
• First aid (overview; defer to SDS): Inhalation—move to fresh air; Skin/Eye—rinse with water for ≥15 min; Ingestion—rinse mouth and seek medical attention. Provide SDS to responders.
• Waste: Collect solutions and contaminated disposables as organic hazardous waste per institutional and local regulations.

Always consult the official SDS for BI-1408 for definitive hazard communication and emergency measures.

Solvent Selection

Item-specific solvent compatibility and solubility data are not available in this record.

Practical solvent strategy for unknown small molecules (general guidance):

• Primary stock solvent: Start with anhydrous DMSO due to broad solvating power and assay compatibility. Prepare 10–20 mM pilot stocks and observe for clarity over 24 h at room temperature and 4 °C.
• Secondary options: If DMSO is inadequate, evaluate DMF, NMP, ethanol, or isopropanol. For highly lipophilic compounds, consider tert-butanol or PEG400 as co-solvents (literature practice). Avoid high-boiling aprotic solvents in biological assays unless necessary.
• Aqueous dilution: When dosing into buffers, maintain final DMSO ≤0.5–1% v/v unless your assay tolerates more. Pre-warm and vortex for consistent dosing.
• pH leveraging: If an ionizable center is known (from CoA), adjust buffer pH to favor the soluble ionic form during dilutions to minimize precipitation.
• Adsorption: Low-dose solutions can adsorb to plastics; pre-condition tips/tubes with matrix or include a small amount of carrier protein/surfactant if assay-compatible.

Quick comparison (general):

• DMSO: Max solubility and stability; biological tolerance often ≤1%.
• Ethanol: Volatile, good miscibility; check assay sensitivity.
• DMF/NMP: Strong solvents; consider cytotoxicity and protein interference if used in bioassays.

Always verify solvent choice empirically with your specific application.

Storage & Reconstitution

Storage and shipping conditions are provided for this item; additional details are general best practices for library compounds.

• Storage temperature: Store at -20°C (per Product Data).
• Shipped in: Ice chest + Ice pads (per Product Data) to maintain a cold chain during transit.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.

Best practices (general):

• Solid material: Keep container tightly closed under dry, inert atmosphere (desiccant recommended). Allow vial to reach room temperature before opening to prevent moisture condensation.
• Stock solutions:
  • Reconstitute initially in anhydrous DMSO (typical 10–50 mM) unless CoA indicates otherwise. Verify complete dissolution.
  • Dispense into single-use aliquots in low-bind tubes; store at -20°C or -80°C for long-term.
  • Avoid repeated freeze–thaw cycles; thaw on ice, mix gently, and use immediately.
• Light and moisture: If the compound is light- or air-sensitive (not specified), protect from light (amber vials) and handle under inert gas.
• Stability: Shelf-life and solution stability are not specified for this item; refer to CoA/Spec Sheet. Perform periodic QC (LC–MS/UPLC) on stored stocks used in critical studies.

Always follow the CoA/Spec Sheet and SDS for lot-specific instructions and stability guidance for BI-1408 (CAS 2231075-94-6).

Structure & Identity

Brief overview: BI-1408 is listed in our small-molecule compound library. Detailed structural identifiers are not provided in the current product record.

• SKU: B1447623
• Product Name: BI-1408
• CAS: 2231075-94-6
• Category: Small molecules and compound libraries (小分子和化合物库)
• 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.
• InChI / InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• Stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general guidance):

• Without a provided structure, functional groups, ring systems, and heteroatom content cannot be enumerated for this specific item.
• If you have an internal structure file (SDF/MOL/SMILES), we recommend confirming exact identity via LC–MS and, where needed, 1H/13C NMR before critical use.
• For library compounds, a typical 2D description would note core scaffold (e.g., heteroaromatic vs aliphatic), substituent pattern, and any ionizable centers; please consult the CoA/Spec Sheet for BI-1408 to obtain these details.

Identification best practices:

• Cross-reference CAS 2231075-94-6 with your internal registry and any publication that first reported BI-1408.
• Verify lot-specific identity by matching retention time, accurate mass, and isotopic pattern to supplier reference data.

Synthetic Utility

The specific structure of BI-1408 is not disclosed in this record; therefore, concrete synthetic roles (e.g., nucleophile/electrophile behavior, named-reaction participation) cannot be assigned.

General considerations if structural information is obtained from the CoA/Spec Sheet:

• Functional group analysis: Identify reactive handles (e.g., aryl halides for cross-coupling, carboxylic acids for amide coupling, amines for reductive amination) to plan diversification.
• Protecting-group strategy: If multiple nucleophiles/electrophiles are present, select orthogonal protection to enable stepwise elaboration.
• Late-stage diversification: For SAR exploration, consider C–H functionalization or photoredox methods when classical handles are absent.
• Purification: Small, lipophilic heteroaromatics often require reverse-phase prep-HPLC; polar intermediates may be amenable to normal-phase silica.
• Analytical QC: Employ LC–MS and NMR to confirm identity and purity after each transformation; monitor for regioisomers or atropisomers if the scaffold suggests such possibilities.

Until the exact scaffold is known, avoid assuming compatibility with specific reagents, catalysts, or conditions. Obtain the structural dossier for BI-1408 before attempting synthetic manipulations or derivatization.

Target Specificity

No biological target, selectivity profile, or binding data are provided for BI-1408 in this listing.

• Target/Pathway: Not specified for this item; refer to CoA/Spec Sheet or your internal screening data.
• Species reactivity: Not applicable; BI-1408 is a small molecule, not an antibody or protein reagent.
• Assay-validated specificity: Not specified for this item; refer to your own validation studies.

Guidance for establishing specificity (general):

• Use orthogonal assays (biochemical vs biophysical) and include counterscreens against common off-targets or assay interferences.
• Build preliminary SAR with close analogs to correlate structural features with activity and exclude artifacts.
• Determine concentration–response curves and kinetics to distinguish competitive, noncompetitive, or covalent mechanisms as applicable.

No claims of specificity are made here. Any target association for BI-1408 must be supported by your experimental data.