BChE-IN-34 , CAS No.2215768-12-8

CAS: 2215768-12-8 Cat. No.: B1445609 Formula: C₂₁H₁₉N₅O₂S₂ Molecular Weight: 437.54

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

BChE-IN-34 is a potent and selective butyrylcholinesterase ( BChE ) inhibitor with an I IC 50 of 25 nM. BChE-IN-34 shows excellent selectivity against BChE over acetylcholinesterase. BChE-IN-34 has neuroprotective and antioxidant effects.

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

INHIBITOR

Names and Identifiers

Molecular Weight

437.54

Application Protocols

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

General guidance for biochemical testing (not item-specific):

• Prepare a fresh DMSO stock at a known concentration; confirm by UV or quantitative NMR if accuracy is critical.
• Perform an 8–12 point serial dilution to generate a full concentration–response curve with appropriate replicates.
• Include controls: vehicle-only, no-enzyme (background), and a reference inhibitor if available.
• Monitor assay interference: Some compounds absorb at assay wavelengths or quench fluorescence; include counter-assays as needed.

For cell-based work (if applicable):

• Verify cytotoxicity windows and vehicle tolerability before functional assays. Maintain constant vehicle concentration across conditions.

All steps should be validated and adapted to your specific enzyme and detection method. For item-specific protocols, consult the CoA or any supplier-provided technical notes.

Biological Roles

Item-specific biological data (targets, potency, selectivity) are not provided in this listing.

General background (literature, not item-specific):

• Butyrylcholinesterase (BChE; EC 3.1.1.8) is a serine hydrolase that hydrolyzes choline esters and is distributed in plasma and various tissues. It shares mechanistic features with acetylcholinesterase (AChE) but differs in substrate specificity and tissue expression.
• BChE inhibitors are used in research to probe cholinergic biochemistry, enzyme kinetics, catalytic triad function (Ser–His–Glu), and to map active-site subsites (acyl pocket, choline-binding site, peripheral anionic site).
• Typical readouts include changes in hydrolysis rates of model substrates (e.g., butyrylthiocholine), and kinetic parameters such as Ki, IC50, and kobs for time-dependent inhibition.
• Selectivity over AChE is often assessed to delineate isoform-specific biological roles; structure–activity relationships can reveal how ring systems, charge, and hydrophobicity affect binding.

Caution:

• Do not infer any specific biological activity or potency for BChE-IN-34 from the above. For definitive information, consult the CoA, SDS, and peer-reviewed literature associated with the exact CAS number.

Research use only: Not for diagnostic or therapeutic applications.

Buffer Applications

Not typically applicable as a buffering agent. BChE-IN-34 is a small-molecule test article, not a buffer component.

General practical notes for assay buffers (not item-specific):

• Enzyme assays involving cholinesterases commonly use phosphate, HEPES, or Tris buffers (pH 7.2–8.0) with ionic strength 50–150 mM. Include BSA (0.01–0.1%) to reduce nonspecific adsorption if needed.
• Maintain consistent DMSO percentage across wells to control for vehicle effects. Include a no-inhibitor control and, if available, a reference BChE inhibitor as a positive control.

For this item, no buffer recipes or pH ranges are specified. Consult your assay protocol and the literature for optimal conditions.

Green Alternatives

Not typically applicable. BChE-IN-34 is a screening compound, not a process solvent or reagent for which greener substitutes are usually discussed.

General sustainability considerations for handling small-molecule tools:

• Minimize DMSO use by preparing higher concentration stocks and aliquoting to reduce waste.
• Choose aqueous assay formats where feasible; reduce reliance on halogenated solvents for any preparative steps.
• Implement microscale assays (384/1536-well formats) to reduce chemical consumption and waste generation.
• Ensure proper segregation of solvent waste streams (DMSO-rich vs aqueous) to enable optimized disposal.

If you intend to use this compound as a synthetic intermediate (non-typical use), consult solvent selection guides (e.g., CHEM21, GSK, ACS GCI) to identify greener solvents compatible with the transformation in question.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation guidance is provided for this item.

Context (general, not item-specific):

• Small-molecule enzyme inhibitors used as research tools are sometimes evaluated in preclinical settings, but catalog items supplied for research use only are not intended for human or veterinary use, and no claims are made regarding suitability for manufacturing or clinical applications.
• If formulation studies are performed for in vivo research models, common approaches include DMSO-based vehicles diluted with PEG-400/saline or cyclodextrin systems to enhance solubility; however, such uses require compound-specific stability and safety data which are not provided here.

For BChE-IN-34 specifically:

• Pharmaceutical/excipient uses: Not specified for this item; refer to CoA/Spec Sheet.
• Regulatory status: Not specified for this item; refer to CoA/Spec Sheet.

Note: This product is supplied strictly for research use only.

Physical Properties

Item-specific physicochemical data have not been provided.

• Appearance: 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.
• Refractive index: Not applicable/unknown for solids; 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.

General guidance (literature/practice, not item-specific):

• Many screening compounds in this class are supplied as dry solids and are routinely reconstituted in anhydrous DMSO to prepare stock solutions (e.g., 10–50 mM) for biochemical assays. If aqueous use is required, dilute DMSO stocks into buffered media with gentle mixing; final DMSO is commonly kept ≤1–2% v/v to minimize assay interference.
• If the compound bears ionizable groups, solubility may be enhanced by adjusting pH, using co-solvents (e.g., ethanol, acetonitrile), or employing surfactants (e.g., 0.01% Tween-20) as compatible with the assay. Verify compatibility empirically.

Important: Treat all values as unknown until confirmed on the item’s CoA/Spec Sheet.

Quality & Grades

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

Context for small-molecule library items (general guidance):

• Many discovery compounds are supplied with analytical characterization such as LC–MS purity and 1H NMR identity. Typical library standards target ≥95% LC purity, but the exact acceptance criteria are item- and supplier-specific. For this product, consult the CoA for definitive purity, analytical methods, and acceptance limits.
• UV profile: Not specified for this item; consult the CoA if low-UV requirements (e.g., HPLC detection) are critical.
• Water/peroxide/metal limits: Not specified for this item; refer to CoA/Spec Sheet.

Practical recommendations:

• If your application is bioassay-sensitive, verify residual solvent content, salt form, and counter-ions on the CoA. Minor differences can influence solubility, potency readouts, and stability.
• If batch-to-batch consistency is critical, retain aliquots of received lots for cross-comparison and document LC–MS/HPLC retention times under your internal methods.

Note: This item is labeled for research use only and is not intended for diagnostic or therapeutic use.

Reaction & Applications

This catalog entry appears to be a preformed small-molecule tool compound rather than a synthetic reagent. No manufacturer application notes are provided.

• Manufacturer Applications (verbatim): Not specified.

General research context (not item-specific):

• Compounds labeled as “BChE-IN-XX” are often used in biochemical assays investigating butyrylcholinesterase (BChE) activity, selectivity versus acetylcholinesterase (AChE), and structure–activity relationships (SAR). Typical applications include enzyme inhibition kinetics, IC50 determination, and selectivity profiling across cholinesterase isoenzymes.
• Assay modalities may include Ellman-type colorimetric assays, fluorogenic substrate assays, and LC–MS-based turnover measurements. The compound is used as the test article; it is not typically a catalyst or reagent in synthetic transformations.
• For mechanistic characterization, researchers may perform time-dependent inhibition studies and dilution recovery experiments to distinguish reversible competitive, noncompetitive, or pseudo-irreversible modes.

Practical tips (general):

• Verify compound integrity by LC–MS prior to screening, especially after prolonged storage.
• Prepare fresh DMSO stocks and minimize freeze–thaw cycles. Include solvent controls to correct for any vehicle effects on enzyme activity.

Important: No claims are made here regarding the potency, selectivity, or mechanism of BChE-IN-34 specifically. Consult primary literature or the CoA for item-specific guidance.

Reaction Conditions

Not applicable in the typical sense. BChE-IN-34 is used as a test article in biochemical assays rather than as a reagent or catalyst in chemical reactions.

Assay conditions (general, not item-specific):

• Temperature: Many BChE assays are conducted at 25–37°C.
• Buffers: Phosphate, HEPES, or Tris at pH 7.2–8.0 are common. Ionic strength and additives (e.g., 0.01–0.1% BSA, 0.01% Tween-20) can reduce nonspecific binding.
• Substrates: Butyrylthiocholine or fluorogenic analogs; detection via Ellman’s reagent (DTNB) or fluorescence.
• Inhibitor incubation: 5–30 minutes preincubation is often used; time-dependence should be characterized if suspected.

Important: The above are general literature practices and are not specific to BChE-IN-34. No reaction or assay parameters are specified for this item; consult your internal SOPs and validate conditions experimentally.

Safety & Handling

Authoritative safety data are provided on the product SDS. The following are general laboratory precautions; item-specific hazard classifications are not provided here.

• GHS Classification: Not specified for this item; refer to SDS.
• Signal Word / Pictograms / H-Statements: Not specified for this item; refer to SDS.
• Research Use: For research use only.

Handling recommendations (general best practice):

• Wear appropriate PPE: lab coat, safety glasses, and disposable nitrile gloves. Work in a fume hood when handling powders or preparing concentrated solutions.
• Avoid inhalation of dust/aerosols and contact with skin/eyes. Use closed containers and minimize open transfers.
• Incompatibilities: Unknown for this item; in general, avoid strong oxidizers and strong acids/bases unless compatibility is established from the SDS.
• First aid (general): In case of skin/eye contact, rinse with water for ≥15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If ingested, rinse mouth; do not induce vomiting; seek medical attention. Always follow institutional SOPs.
• Spill response: Contain solids with damp disposable towels/absorbents to minimize dust; collect in sealed waste for disposal per local regulations.
• Waste disposal: Dispose of as organic laboratory chemical waste according to institutional and regional guidelines.

Note: Without item-specific hazard data, adopt conservative handling and consult the SDS before use.

Solvent Selection

Item-specific solubility and polarity data are not provided; therefore, solvent selection should follow general practices for small-molecule screening compounds.

• Primary stock solvent (general practice): Anhydrous DMSO is commonly used to prepare concentrated stocks (e.g., 10–50 mM). Confirm actual solubility experimentally and from the CoA.
• Aqueous work: Dilute DMSO stocks into assay buffer while mixing to avoid precipitation. Typical final DMSO concentrations are ≤1–2% v/v, but optimize for your assay tolerance.
• Alternative co-solvents (general options): Ethanol, methanol, acetonitrile, or mixtures with buffered saline can improve solubility for certain scaffolds. Validate compatibility with assay components and plastics.
• pH adjustment: If the compound is ionizable, brief pH adjustment (within assay tolerance) may enhance aqueous solubility; avoid extreme pH unless stability is verified.

Comparison (general guidance, not item-specific):

• DMSO: Broad solvency, high boiling point, common in screening. Can affect enzyme activity at higher percentages.
• Acetonitrile: Lower viscosity, mixes well with water; volatility facilitates removal but can denature proteins.
• Ethanol: Biocompatible at low percentages; limited solvency for highly lipophilic compounds.

Recommendation: Begin with DMSO screening, then explore co-solvent blends if precipitation is observed. Record final solvent composition in all bioassays for reproducibility.

Storage & Reconstitution

Item-specific storage is provided; reconstitution guidance is general.

• Storage Conditions (from Product Data): Store at -20°C.
• Shipping Conditions (from Product Data): Shipped in ice chest with ice pads.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.

General reconstitution guidance (not item-specific):

• Allow the container to equilibrate to room temperature in a desiccated environment before opening to prevent moisture condensation.
• Prepare concentrated stocks in anhydrous DMSO under dry conditions. Typical screening stocks are 10–50 mM; actual solubility must be confirmed experimentally.
• Filter sterilization is usually unnecessary for biochemical assays but may be used (0.22 µm PTFE) if particulate contamination is suspected.
• Aliquot stocks into single-use vials or plates to avoid repeated freeze–thaw cycles. Store aliquots at -20°C to -80°C, protected from light if the compound is photosensitive (photosensitivity: not specified for this item).
• Thaw on ice or at room temperature; mix gently to ensure homogeneity. Discard solutions showing precipitation or discoloration unless quality is verified.

Stability: Not specified for this item; refer to CoA/Spec Sheet for retest date and any known sensitivities (e.g., hydrolysis, oxidation).

Note: For research use only.

Structure & Identity

Brief overview: BChE-IN-34 is listed as a small-molecule library compound. Item-specific structural identifiers are not provided in the current listing.

• SKU: B1445609
• Product Name: BChE-IN-34
• CAS: 2215768-12-8
• Category: Small molecules and compound libraries (catalog path: 全部 / 可售 / 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.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

Structural features:

• Item-specific functional groups, ring systems, and stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.

Notes:

• The working name “BChE-IN-34” suggests a research tool compound intended for butyrylcholinesterase-related investigations; however, target identity and structural motifs for this specific item are not provided here. Consult the SDS/CoA or primary literature linked to the CAS number for definitive structural details.

Synthetic Utility

This product is positioned as a bioactive small-molecule tool rather than a synthetic building block. No functional-group data or reactivity profile is provided.

General considerations (not item-specific):

• Without structure, it is not possible to recommend transformations or protective-group strategies. If the compound is to be modified for SAR, obtain the full structure and assess sites amenable to diversification (e.g., aryl halides for cross-coupling, amines for acylation/alkylation) and stability toward common conditions.
• If derivatization is planned (biotinylation, fluorophore tagging), evaluate whether a handle exists that can be modified without abrogating activity; iterative testing against BChE is recommended to validate retained binding.

Conclusion: No specific synthetic utility can be ascribed to BChE-IN-34 based on the information provided. Treat it as a finished test article unless detailed structural data are available.

Target Specificity

Item-specific target information is not provided.

• Declared target, species reactivity, and selectivity data: Not specified for this item; refer to CoA/Spec Sheet.

General context (not item-specific):

• Butyrylcholinesterase (BChE) vs acetylcholinesterase (AChE) selectivity is a core metric for cholinesterase inhibitors. Researchers typically report IC50 or Ki values for both enzymes (human recombinant or tissue-derived) and may include counterscreens against unrelated hydrolases to assess off-target effects.
• If covalent or pseudo-irreversible mechanisms are suspected, dilution-recovery and MS adduct analyses are used to confirm specificity.

Recommendation: Verify the intended target and selectivity of BChE-IN-34 using primary data associated with the exact lot and CAS, and qualify it within your assay system before drawing conclusions.

Frequently Asked 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 2215768-12-8, the molecular formula is C21H19N5O2S2, and the molecular weight is 437.54 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.