BuChE-IN-1 , CAS No.2669070-40-8

CAS: 2669070-40-8 Cat. No.: B1445643 Formule: C₂₃H₂₃FN₂O₄S Poids moléculaire: 442.50

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

BuChE-IN-1 (Compound 23) is a potent inhibitor of butyrylcholinesterase ( BuChE ). Butyrylcholinesterase (BuChE) is recently regarded as a biomarker in progressed Alzheimer’s disease (AD). BuChE-IN-1 shows low cytotoxicity and high blood brain barrier (BBB) permeability. BuChE-IN-1 is a promising BuChE inhibitor for the research of AD.

Spécifications

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.

Type d'action

INHIBITOR

Noms et identifiants

Poids moléculaire

442.50

Application Protocols

Tested applications and recommended conditions are not provided for this SKU.

• Suggested use levels, assay formats, positive controls, and dilution schemes: Not specified for this item; refer to CoA/Spec Sheet.

General recommendation:

• Prepare a small pilot solubility/stability check in your intended assay matrix, and document any precipitation or adsorption before committing to larger studies.

Biological Roles

Item-specific biological function/target information is not provided in the Product Data for this SKU.

General notes (for context only, not item-specific):

• Small-molecule compounds in screening libraries are commonly explored for their interactions with enzymes, receptors, transporters, or signaling proteins in vitro. Any biological activity should be validated independently under controlled experimental conditions.
• Do not ascribe mechanism, potency, or selectivity to this item without supporting data from the CoA/Spec Sheet or primary literature specifically tied to CAS 2669070-40-8.
• Use is strictly for research purposes; no clinical or diagnostic applications are implied.

Recommendation:

• If you require target annotations, kinetic constants, or selectivity profiles, please request the full technical data package or literature cross-references for this exact CAS/lot.

Buffer Applications

This product is a small-molecule screening compound and is not itself a buffering agent. No buffer-related specifications or pKa data are provided.

• Buffer preparation: Not applicable for this item.
• Practical note: When using in biochemical assays, prepare working solutions by diluting a DMSO stock into your assay buffer, ensuring the final DMSO percentage is within assay tolerance and that no precipitation occurs.

Green Alternatives

Because the structure and physicochemical profile of this item are not provided, a compound-specific green assessment cannot be made.

General considerations for greener practice with screening compounds:

• Solvent minimization: Use the lowest feasible DMSO concentration in assays while maintaining solubility. Consider aqueous buffers when compatible with compound stability.
• Safer solvents (general comparison):
  • Water/buffer (if soluble): safest, nonflammable; may require pH adjustment.
  • Ethanol: relatively benign; moderate solvency; compatible with many bioassays at low %.
  • Acetonitrile: higher volatility and flammability; use in small volumes.
  • DMSO: excellent solvency; low volatility; ensure appropriate waste handling.
• Waste reduction: Prepare small aliquots tailored to experimental throughput to reduce expired waste. Use micro-volume dispensing to minimize over-preparation.
• Energy: Store at −20°C as specified; avoid repeated long thaw periods. Plan batch experiments to limit freezer door-open time.

If the structure becomes available, a more specific PMI/solvent and hazard assessment can be provided using standard green chemistry metrics.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation specifications are provided for this item.

• This compound is supplied strictly for research use only; it is not intended for human or veterinary use, APIs, or clinical diagnostics.
• If pre-formulation or developability studies are planned, request detailed purity, residual solvent, counter-ion, and stability information specific to this SKU and lot.

Physical Properties

The following physicochemical properties were not provided in the Product Data for this item.

Item-specific values (specifications):

• Appearance/State: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point: Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point: 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/best practice, not item-specific):

• Small-molecule screening compounds are commonly supplied as solids or lyophilized powders and are frequently reconstituted in anhydrous DMSO to prepare 10–50 mM stocks. Actual solubility can vary widely depending on heteroatom count, polarity, and crystal form.
• If solubility is limited, co-solvent systems (DMSO with water or buffer, or DMSO with ethanol/acetonitrile) and gentle warming/sonication are often used. Avoid prolonged heating unless stability is verified.
• For accurate properties (e.g., exact solubility, polymorph), verify the CoA/Spec Sheet or request additional data from Aladdin Scientific.

Quality and Grades

Item-specific quality attributes were not provided in the Product Data.

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

General guidance for small-molecule screening compounds (informational, not item-specific):

• Research-grade library compounds are typically characterized by NMR/MS and supplied at high chemical purity (often ≥95% by HPLC), with water/residual solvent levels determined as needed. For this specific SKU, please verify actual purity and analytical methods on the CoA.
• Low-UV-absorbing solvents and HPLC/UPLC verification may be used during QC. If your application is bioassay-sensitive, consider requesting residual solvent and counter-ion information.
• If a stabilizer or specific salt form is used to enhance stability/solubility, this will be noted on the CoA/Spec Sheet. Absence of such notation should not be assumed to mean “none present”—please confirm as needed.

Recommendation:

• For reproducible screening data, document batch/lot numbers and retain the CoA with analytical chromatograms. If LC-MS/HRMS and purity specs are critical to your workflow, request them prior to use.

Reaction and Applications

This product is offered as a small-molecule screening compound and is not typically employed as a stoichiometric reagent or solvent in synthetic transformations.

• Synthetic reaction families: Not applicable; no item-specific functional group information is available.
• Assay-focused applications (general): Such compounds are commonly used in in vitro biochemical or cell-based research to explore structure–activity relationships, potency ranking, and selectivity profiling. For this specific SKU, application details were not provided in the Product Data.
• Practical tips (general):
  • Prepare a fresh DMSO stock and store single-use aliquots at −20°C to maintain integrity.
  • Minimize freeze–thaw cycles and exposure to moisture/air.
  • Verify compound identity and purity against the CoA prior to critical studies.

For any specialized use (e.g., covalent chemistry, photoaffinity labeling), please request structural information and stability data for this exact item.

Reaction Conditions

Not applicable for this item as a synthetic reagent, and no reaction condition guidance is provided in the Product Data.

General note:

• For bioassay usage, reaction-like parameters (e.g., incubation time, temperature, buffer composition) are assay-specific and should be optimized empirically. No item-specific protocols are supplied here.

Safety and Handling

Safety data specific to this SKU were not provided in the Product Data; consult the SDS for authoritative information.

Item-specific hazard information:

• GHS Classification: Not specified for this item; refer to SDS.
• Signal Word: Not specified for this item; refer to SDS.
• H-Statements: Not specified for this item; refer to SDS.
• Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (best practice):

• Handle in a chemical fume hood with appropriate PPE: lab coat, safety glasses, and chemically resistant gloves. Avoid inhalation of dust or aerosols, and minimize skin contact.
• Unknown dust toxicity: avoid generating dust; consider respiratory protection if dust/aerosol formation is possible and engineering controls are insufficient.
• Storage incompatibilities: until specific functional groups are known, segregate from strong oxidizers, strong acids/bases, and ignition sources. Keep container tightly closed.
• Thermal/light sensitivity: store as instructed (see Storage & Reconstitution) and protect from moisture. If the compound contains hydrolyzable motifs (unknown here), minimize exposure to humid air.

First-aid overview (general):

• Skin/eye contact: rinse with copious water for at least 15 minutes; remove contaminated clothing. Seek medical attention if irritation persists.
• Inhalation: move to fresh air and monitor breathing; seek medical attention.
• Ingestion: rinse mouth; do not induce vomiting unless directed by medical personnel; seek medical attention.

Always defer to the SDS and your institution’s safety protocols.

Solvent Selection

Item-specific solubility data are not provided; the guidance below is general best practice for small-molecule screening compounds.

• Primary stock solvent: Anhydrous DMSO is commonly used to prepare 10–50 mM master stocks due to broad solvating power and assay compatibility at low final % DMSO (≤0.5–1%). Start with 10 mM unless higher concentration is confirmed soluble.
• Cosolvent strategies: If DMSO alone is insufficient, dissolve in a small volume of DMSO, then dilute with acetonitrile, ethanol, or buffer to the desired working solution, monitoring for precipitation.
• Aqueous work: Without structure information, do not assume water solubility. Use surfactant-free buffers and keep final DMSO below assay tolerance. Filter (0.22 µm) only if chemical stability and adsorption to membrane are acceptable.
• pH adjustment: If the compound is ionizable (unknown here), modest pH adjustments (pH 6–8) can improve solubility. Avoid extreme pH unless stability is verified.
• Light/air sensitivity: Prepare stocks under inert gas and low light if instability is suspected. Store aliquots at −20°C to reduce freeze–thaw cycles.

Quick comparison (general):

• DMSO: broad solubility, assay-compatible at low %; hygroscopic.
• DMF/Acetonitrile: good solvents but more assay-restrictive; use sparingly.
• Ethanol: biocompatible up to low %; lower solvency vs DMSO.

Always validate solubility and stability empirically for this specific lot.

Storage and Reconstitution

Item-specific storage conditions are provided; reconstitution specifics are not.

Item-specific instructions (from Product Data):

• Storage: Store at −20°C.
• Shipping: Shipped in an ice chest with ice pads to maintain cold chain.

General best practices (informational, not item-specific):

• Upon receipt: Allow the sealed container to equilibrate to room temperature before opening to prevent condensation. If supplied as a solid, promptly return to −20°C after sub-aliquoting.
• Reconstitution: If no solvent guidance is provided, begin with anhydrous DMSO to prepare a 10 mM stock. Vortex and, if needed, briefly sonicate. If insoluble, try stepwise addition of DMSO or introduce a small fraction of acetonitrile/ethanol as co-solvent. Do not exceed your assay’s solvent tolerance.
• Aliquoting: Prepare single-use aliquots in inert, low-bind tubes to minimize adsorption and freeze–thaw cycles.
• Light/moisture protection: Store in amber vials if light-sensitive is suspected; use desiccant or inert gas backfill for moisture-sensitive materials.
• Stability: If stability data are not available, avoid repeated warming and prolonged bench exposure. Verify integrity periodically by LC-MS/HPLC.

For any lot-specific reconstitution concentration limits or stability windows, consult the CoA/Spec Sheet.

Structure and Identity

Brief overview: This product is supplied as a small-molecule screening compound. Structural identifiers have not been provided in the product data.

• SKU: B1445643
• Product Name: BuChE-IN-1
• CAS: 2669070-40-8
• Category: Small molecules and compound libraries

Item-specific identifiers (from Product Data):

• 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 (general notes):

• Without a provided structure, ring systems, functional groups, and stereochemistry cannot be summarized for this specific item. Please consult the CoA/Spec Sheet or reach out to Aladdin Scientific for the structure file (SDF/MOL) if available.
• If you receive the compound as part of a screening set, a structure card (SDF) is typically supplied on request for informatics integration; confirm availability for this specific SKU.

Synthetic Utility

Not typically applicable. This SKU is provided as a research screening compound rather than a synthetic building block or reagent.

• Without structural information, we cannot recommend transformations, protecting-group strategies, or named-reaction contexts for this specific molecule.
• If you intend to derivatize or incorporate this scaffold synthetically, please request the structure (SDF) and any available reactivity/stability notes for this exact CAS.

Target Specificity

Only from product data. For this SKU, no target, epitope, or specificity information is provided.

• Target/Pathway: Not specified for this item; refer to CoA/Spec Sheet.
• Species selectivity: Not specified for this item; refer to CoA/Spec Sheet.
• Mechanism notes: Not specified for this item; refer to CoA/Spec Sheet.

Foire aux questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2669070-40-8, the molecular formula is C23H23FN2O4S, and the molecular weight is 442.50 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.