CA/MAO-B-IN-1 - ≥98% , CAS No.C1438666

CAS: C1438666 Cat. No.: C1438666 Formula: C₁₇H₁₅NO₅S Peso molecolare: 345.37

QUALITÀ & PUREZZA ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

CA/MAO-B-IN-1 (Compound 78) is a dual inhibitor for human brain carbonic anhydrases ( CA ) and Monoamine Oxidase-B ( MAO-B ), with IC 50 s of 8.8 and 7.0 nM, respectively. CA/MAO-B-IN-1 reveals a human oral absorption of 71.9% through in silico prediction.

Specifiche

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

Peso molecolare

345.37

Application Protocols

Only product data may be used here, and no validated protocols are provided for this SKU.

• Tested applications: Not specified for this item; refer to CoA/Spec Sheet.
• Recommended working concentrations/dilutions: Not specified for this item; refer to CoA/Spec Sheet.
• Positive controls and assay conditions: Not specified for this item; refer to CoA/Spec Sheet.

Guidance:

• For experimental design, please refer to peer-reviewed protocols relevant to your assay platform (e.g., enzyme kinetics with MAO-B). Validate any conditions locally and record all parameters in your ELN. Our technical team can assist in locating literature references upon request.

Biological Roles

Item-specific biological data (target confirmation, potency, selectivity) are not provided for this listing. The following is general background to assist in experimental planning.

General background (literature):

• Monoamine oxidase B (MAO-B) is a mitochondrial outer-membrane flavoenzyme that catalyzes the oxidative deamination of monoamines, generating the corresponding imine, ammonia, and hydrogen peroxide. It plays roles in neurotransmitter catabolism and redox homeostasis.
• Small-molecule MAO-B inhibitors are employed as chemical probes to dissect enzyme mechanism, cofactor interactions (FAD), and substrate specificity, and to differentiate MAO-B from MAO-A in biochemical assays and chemical biology studies.
• Tool inhibitors are frequently used to calibrate enzyme kinetics (IC50/Ki determination), to validate assay robustness (Z′ factor), and to explore structure–activity relationships via analog series.

Important caveats:

• No assumption about the potency, reversibility, or selectivity of CA/MAO-B-IN-1 should be made without reviewing lot-specific data. Inhibitors can be irreversible, reversible competitive, or mechanism-based; experimental conditions (pH, co-solvent, preincubation) significantly influence apparent potency.
• Off-target profiling may be necessary if this compound is used in complex matrices.

Research use only:

• This product is supplied strictly for laboratory research. It is not intended for diagnostic, therapeutic, or in vivo use.

Buffer Applications

Not typically applicable. CA/MAO-B-IN-1 is a small-molecule tool compound and not a buffering agent.

Practical note for assays (general):

• When using such compounds in enzyme assays, choose a buffer system compatible with the enzyme (e.g., phosphate, HEPES, Tris) and maintain a constant percentage of organic cosolvent (e.g., DMSO) across conditions to avoid solvent-induced artifacts.
• Specific buffer composition, pH, salts, and cofactors should be optimized for MAO-B or the biological system under study based on literature protocols. No item-specific buffer guidance is provided for this SKU.

Green Alternatives

Green chemistry comparisons are typically relevant to solvents, reagents used in bulk, or process-intensive transformations. CA/MAO-B-IN-1 is a research tool compound intended for analytical/assay-scale use, where substitution with a “greener” alternative is not applicable without changing the experimental objective.

Context and guidance:

• If your aim is to study MAO-B biochemistry, the compound itself is the variable of interest and cannot be replaced by a greener solvent or reagent without altering the experiment.
• Green considerations can still apply to the handling workflow: choose greener diluents where compatible (e.g., water buffers with minimal DMSO), minimize waste, and scale experiments appropriately.

Workflow-level best practices (general):

• Use micro-scale assay formats and consolidated plates to reduce solvent consumption.
• Optimize LC–MS methods to shorter gradients and aqueous-rich eluents when feasible.
• Implement waste segregation for chlorinated vs non-chlorinated solvents and use solvent recycling where available.

Bottom line:

• No compound-level “green alternative” exists for this SKU in its role as a specific research tool. Focus efforts on greener assay buffers, minimal DMSO percentages, and efficient analytical methods to reduce environmental footprint.

Pharmaceutical Uses

No pharmaceutical or excipient uses are specified for this product. It is provided for research use only.

Context:

• Compounds in discovery libraries can serve as reference standards for analytical method development, stability studies, and in vitro research. They are not manufactured to pharmacopeial monographs nor qualified as GMP-grade materials unless explicitly stated.

Documentation and suitability:

• Pharmacopeial status: Not specified for this item; refer to CoA/Spec Sheet.
• Residual solvents/impurities: Not specified for this item; refer to CoA/Spec Sheet.

If you require a material for regulated development work (e.g., GLP tox studies or clinical manufacture), contact us regarding availability of GMP or qualified material, full impurity profiling, and ICH-compliant stability data. In the absence of such documentation, this SKU should not be used for any pharmaceutical manufacturing or clinical application.

Physical Properties

Item-specific physicochemical data are not provided in this listing.

• 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 specified for this item; refer to CoA/Spec Sheet.
• pKa(s): Not specified for this item; refer to CoA/Spec Sheet.
• logP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• Aqueous solubility: Not specified for this item; refer to CoA/Spec Sheet.
• UV/Vis characteristics: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/typical for small-molecule tool compounds):

• Many screening compounds are stored as DMSO stocks at 10–50 mM due to broad solubility; however, solubility is compound-specific and should be verified experimentally.
• For solids, an initial qualitative solubility check in DMSO, MeOH, or acetonitrile is common before preparing assay stocks or analytical standards.
• If the molecule contains basic/acidic sites (unknown here), pH-adjusted aqueous solutions (with co-solvent) may help dissolution; confirm stability before use.

Analytical control:

• Prior to use in quantitative assays, verify identity and purity by orthogonal methods (e.g., LC–MS and 1H NMR) and establish extinction coefficients only if UV-quantifying solutions. Always defer to the CoA/SDS for any critical physical property needed for safe handling.

Quality and Grades

Item-specific grade and purity are not disclosed in this listing.

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

Interpreting grades (general guidance):

• Research-grade small molecules are typically supplied at high chemical purity suitable for discovery research, assay development, and analytical characterization. When a numerical purity is given (e.g., ≥95% by HPLC), it generally reflects area normalization at a specific wavelength; confirm methods on the CoA.
• Low-UV or LC–MS reference grades focus on chromatographic cleanliness and mass-spectral identity; impurity profiles and residual solvents are detailed on CoA.

What to verify upon receipt:

• Identity (LC–MS, NMR) and purity per your internal acceptance criteria, particularly if the compound will be used as a reference control.
• Water content and residual solvent only if application-sensitive (Karl Fischer, GC). If limits are critical for your use case, request the Spec Sheet.
• Solid form (free base vs. salt, polymorph) and counterion, if applicable.

Documentation:

• For regulatory or GLP-like workflows, retain the lot-specific CoA and SDS in your LIMS/ELN and record any in-house requalification data. Contact us if you require a targeted specification (e.g., HPLC ≥98% or metal-content limits) for this SKU.

Reaction and Applications

This SKU is positioned as a research tool compound within a small-molecule library rather than a synthetic reagent. Consequently, classical synthetic reaction use (e.g., as a solvent, coupling partner, or catalyst) is not the primary intent.

Research applications (general, non-item-specific):

• Biochemical probe: Compounds denoted “MAO-B-IN” are commonly used as test ligands/inhibitors in enzyme assays to study MAO-B catalysis, structure–activity relationships, and selectivity versus MAO-A. CA/MAO-B-IN-1 may serve as a screening hit/control in such contexts, contingent upon its confirmed identity and activity.
• Reference standard: Can be employed as a qualitative/quantitative reference in LC–MS methods once identity/purity are verified.
• Assay development: Useful in establishing assay windows, validating detection chemistry, and benchmarking inhibitors in plate-based formats.

Not a general-purpose reagent:

• Without structure and reactivity data, no guidance is offered for use in named organic reactions. If your goal is synthetic transformation, please obtain the full structure and consider reactivity predictions accordingly.

Practical tips:

• Prepare fresh DMSO stocks where feasible; aliquot to avoid freeze–thaw cycles.
• Confirm stability under assay and storage conditions by LC–MS. Track potential degradation products that might confound readouts.

Reaction Conditions

Not applicable as a synthetic reagent. This product is intended as a research tool compound rather than a substrate, solvent, or catalyst for general organic reactions.

Assay and handling conditions (general, non-item-specific):

• Stock solutions: Frequently prepared in DMSO (e.g., 10–50 mM) and stored in aliquots at low temperature to avoid multiple freeze–thaw cycles. Actual solubility and stability must be verified experimentally.
• Assay use: Maintain constant final DMSO (often ≤1–2% v/v) across wells or replicates to prevent solvent-driven artifacts. Preincubation conditions for enzyme studies depend on inhibitor mechanism and should be optimized per literature.
• Analytical: LC–MS compatible mobile phases (e.g., ACN/H2O + 0.1% FA) are common for monitoring concentration and stability.

Item-specific reaction parameters, temperatures, catalysts, or yields are not applicable and are not provided for this SKU.

Safety and Handling

Safety information specific to this item is not provided in the listing and must be obtained from the product SDS.

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / pictograms / H-statements: Not specified for this item; refer to SDS.
• Storage: Store at −20°C (per product data). Maintain tightly closed to minimize moisture/oxidant exposure. Avoid repeated freeze–thaw of stock solutions where applicable.
• Shipping: Shipped cold (ice chest + ice pads) to preserve integrity.

General laboratory precautions (good practice):

• PPE: Wear lab coat, appropriate chemically resistant gloves, and eye protection. Work in a fume hood to avoid inhalation of dust or solvent vapors when preparing solutions.
• Incompatibilities: Unknown for this specific item; as a conservative approach, keep away from strong oxidizers, strong acids/bases, ignition sources, and reactive metals until compatibility is confirmed via SDS.
• First aid overview: In case of skin/eye contact, rinse with water for at least 15 minutes; if inhaled, move to fresh air; if ingested, seek medical attention. Follow your institution’s emergency procedures.
• Spill/cleanup: Avoid dust formation, collect with inert absorbent, and dispose according to local regulations.

Authoritative source: Always consult the official Safety Data Sheet for definitive hazard, handling, and disposal guidance before first use.

Solvent Selection

No item-specific solubility map is provided. The following general strategy applies to small-molecule library compounds used as biochemical tool compounds.

• Primary stock solvent: DMSO is typically first choice due to broad solvating power and compatibility with enzymatic assays at ≤1–2% v/v. Verify solubility visually and by LC–MS.
• Auxiliary solvents: Methanol, ethanol, acetonitrile, or DMF may be used to prepare concentrates, followed by dilution into assay buffer containing a small percentage of DMSO.
• Aqueous work: If the compound contains ionizable groups (unknown here), consider buffered aqueous cosolvent systems. Pre-screen solubility at pH 6–8 for enzyme assays.
• Adsorption/minimum loss: For hydrophobic compounds, use low-binding plastics or glass; pre-rinse with dilute DMSO to reduce adsorption.

Typical selection logic (general):

• Enzyme assays: DMSO stock → dilute into buffer (maintain constant DMSO across wells).
• Cell-free biophysics: Match solvent to instrument constraints (ITC often prefers minimal DMSO; consider ligand pre-solubilization and incremental titration).
• Analytical quantitation: ACN/H2O + 0.1% FA or MeOH/H2O + modifier for LC–MS; ensure compound ionizes under chosen polarity.

Controls:

• Verify that the chosen solvent percentage does not affect the biological readout (include vehicle controls). Perform stability checks over assay duration (autosampler and bench-top) by LC–MS/UPLC.

Storage and Reconstitution

Storage and shipping conditions are provided; reconstitution details are not specified in this listing.

• Storage conditions: Store at −20°C (per product data). Protect from moisture and light as a general precaution for small-molecule probes. Use desiccation where feasible.
• Shipping: Ice chest with ice pads (per product data) to maintain cold chain during transit.
• Reconstitution/stock solutions: Not specified for this item; refer to CoA/Spec Sheet.
• Working solution stability: Not specified for this item; refer to CoA/Spec Sheet.

Best practices (general):

• If preparing solutions, aliquot to avoid repeated freeze–thaw. Label aliquots with concentration, solvent, lot, and date.
• Verify stability by LC–MS over intended storage duration (autosampler at 4–10°C and freezer at −20°C or lower) before critical experiments.

For any lot-specific guidance on solvent choice, concentration limits, and solution stability, consult the Certificate of Analysis or contact Technical Support.

Structure and Identity

Brief overview: CA/MAO-B-IN-1 is listed in our small-molecule/compound library. Item-specific structural identifiers are not provided in the current listing.

• Chemical name: Not specified for this item; refer to CoA/Spec Sheet.
• Synonyms: Not specified for this item; refer to CoA/Spec Sheet.
• CAS: C1438666 (catalog placeholder; full CAS RN not provided in this listing).
• 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.
• 2D/functional features: Not specified for this item; refer to CoA/Spec Sheet.

General note (literature/context):

• The naming suggests a research tool compound intended for biochemical studies related to monoamine oxidase B (MAO-B). Without an exact structure, features such as ring systems, heteroatoms, stereochemistry, and ionizable groups cannot be described. Please consult the Certificate of Analysis (CoA) or Specification Sheet for definitive identifiers (SMILES, InChIKey) and structural information necessary for registration, inventory control, and computational work.

Traceability:

• SKU: C1438666
• Category: Small molecules and compound libraries (research use only). Ensure you record any internal compound ID mapping to your ELN/LIMS once full identifiers are available.

Synthetic Utility

This SKU is supplied as a finished small molecule for use as a research tool rather than as a synthetic intermediate. Without structure and functional-group information, no meaningful guidance can be offered on its reactivity, derivatization, or use in named reactions.

General considerations if derivatization is contemplated (literature-level guidance):

• Confirm full structural identity (including stereochemistry and salt form) before planning modifications.
• Map liabilities via stability-indicating LC–MS (sensitivity to hydrolysis, oxidation, photolysis) to guide protection strategies.
• If the scaffold is unknown in your lab, obtain spectra (1H/13C NMR, HRMS) and consider small-scale reactivity probes to assess nucleophilicity/electrophilicity and heteroatom availability.

Recommendation:

• For synthetic campaigns or analog preparation, request the structure and, where available, synthetic references or patent citations, then plan retrosynthetic routes and functional-group interconversions accordingly. In the absence of such data, treat the compound as an end-use probe rather than a building block.

Target Specificity

Only product data may be used in this section. No target validation, selectivity, or binding profile has been provided in the listing for CA/MAO-B-IN-1.

• Primary target: Not specified for this item; refer to CoA/Spec Sheet.
• Selectivity versus related targets (e.g., MAO-A): Not specified for this item; refer to CoA/Spec Sheet.
• Mechanism (reversible/irreversible, competitive/noncompetitive): Not specified for this item; refer to CoA/Spec Sheet.
• Tested species/cell lines: Not specified for this item; refer to CoA/Spec Sheet.

Please consult the lot-specific documentation or contact Technical Support for any available biochemical characterization data.

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 C1438666, the molecular formula is C17H15NO5S, and the molecular weight is 345.37 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.