CA IX-IN-1 , CAS No.C1438619

CAS: C1438619 Cat. No.: C1438619 Formule: C₁₆H₂₂N₄O₈S Poids moléculaire: 430.43

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

CA IX-IN-1 (compound 12g) is an effective and selective inhibitor of hCA IX with IC 50 value of 7 nM. CA IX-IN-1 exhibitsantitumor activity.

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.

Type d'action

INHIBITOR

Noms et identifiants

Poids moléculaire

430.43

Application Protocols

No tested applications or protocols are provided in the Product Data for this item.

• Validated applications, recommended working concentrations, vehicle controls, and positive controls: Not specified for this item; refer to CoA/Spec Sheet.

General considerations (do not substitute for a protocol)

• Prepare fresh working dilutions immediately before use; maintain constant vehicle concentration across controls and treatments.
• Include solubility and precipitation checks at intended assay temperatures and media compositions.

Please consult internal SOPs or peer-reviewed literature for assay-specific protocols and confirm suitability with small pilot experiments.

Biological Roles

Item-specific biological target details for this SKU are not provided in the Product Data. The name suggests a putative inhibitor related to carbonic anhydrase IX (CA IX); verify target, potency, and selectivity from the CoA or primary literature before use.

General background on CA IX (literature/general)

• Carbonic anhydrases (CAs) catalyze the reversible hydration of CO2 to bicarbonate and a proton, contributing to pH regulation and CO2 transport.
• CA IX is a membrane-associated isoform often studied in the context of hypoxic regulation and extracellular acid-base balance in tissue microenvironments.
• Small-molecule CA inhibitors frequently employ zinc-binding motifs (e.g., sulfonamides), though alternative chemotypes exist; exact chemotype for this item is unknown based on provided data.

Research usage context

• In biochemical and cell-based experiments, CA IX modulators are used to interrogate pH homeostasis, carbonate chemistry, and enzyme kinetics. Assays may include activity-based measurements (e.g., esterase surrogates, stopped-flow CO2 hydration).

Caution

• Without product-specific data (Ki/IC50, isoform selectivity), do not assume target specificity or activity window. Run internal controls and concentration–response curves to confirm on-target effects for your system.

Buffer Applications

This item is a bioactive small molecule, not a classical buffer component. No item-specific buffer system details are provided.

General guidance (literature/general)

• For enzymology or cell assays, common buffers include HEPES (pKa ~7.5), phosphate (pKa2 ~7.2), and Tris (pKa ~8.1). Select a buffer that maintains the desired pH and does not chelate metals or interact with the compound.
• Maintain consistent ionic strength and consider bicarbonate/CO2 systems carefully in carbonic anhydrase assays, as buffering species can influence readouts.

For this specific SKU, consult the CoA for any recommended solvent or buffer systems, and perform compatibility tests to ensure compound stability and activity in the chosen buffer.

Green Alternatives

Because CA IX-IN-1 is a bioactive small molecule rather than a process solvent or reagent, “green alternatives” considerations primarily concern solvent selection used to dissolve and deliver the compound.

Greener solvent considerations (general)

• Prefer aqueous buffers with minimal co-solvent where feasible; keep DMSO ≤0.1–0.5% v/v in biological assays to reduce solvent stress.
• Where DMSO volume is a concern, evaluate biocompatible solubilizers (e.g., hydroxypropyl-β-cyclodextrin) or modest ethanol percentages if compatible with the assay.
• Avoid chlorinated solvents for stock solutions. Use ethanol/water or acetate/phosphate buffers when possible.

Illustrative comparison (literature/general)

• DMSO: Excellent solvency and stability; higher environmental burden and potential cell stress at elevated %.
• Ethanol: Renewable and readily biodegradable; may perturb membranes/proteins at ≥1–2% v/v.
• PBS or HEPES buffer: Greenest vehicle; limited by compound’s intrinsic aqueous solubility.

Waste minimization

• Prepare only the volumes required for near-term use; aliquot to avoid freeze–thaw waste.
• Use microscale assay formats and sealed plates to reduce volatilization and exposure.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation use is specified for this item. It is offered strictly for research use only.

General context for bioactive reference standards (literature/general)

• Such compounds are often used as research controls, assay standards, or tool compounds in non-clinical development. They may support SAR studies, target validation, and mechanistic biology.
• If later considered for formulation research, pre-formulation studies typically assess solubility across pH, stability (hydrolytic/oxidative/photolytic), and compatibility with common excipients; none of these are specified here for this product.

Compliance note

• Not for human or veterinary use. Not for diagnostic procedures. No clinical claims are made or implied for this product.

Physical Properties

Item-specific physical constants are not provided in the Product Data.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (BP): Not applicable/unknown for solids; 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 for solids; otherwise not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP, pKa: Not specified for this item; refer to CoA/Spec Sheet.

General laboratory guidance (literature/general)

• Many bioactive small molecules are supplied as off-white to yellow solids and are commonly soluble in polar aprotic organic solvents (e.g., DMSO, DMF) and sparingly soluble in water. For screening use, 10–50 mM DMSO stock solutions are typical, subject to compound-specific solubility limits.
• If aqueous work is required, co-solvent systems (DMSO/H2O) or pH adjustment may aid dissolution. Always filter sterilize for cell-based assays where appropriate.

Always confirm exact specs and solubility for this specific item from the CoA before preparing concentrated stocks or performing quantitative assays.

Quality and Grades

Item-specific grade/purity information was not provided.

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

General guidance on grades (for context)

• Screening/Research grade bioactives: Typically provided at high purity by HPLC/LC–MS for biochemical and cell-based assays. Documentation often includes chromatographic purity and identity confirmation (MS/NMR). Low residual solvents/metals may be noted but should not be assumed.
• HPLC grade (if applicable): Indicates low UV background and suitability for analytical use; not the same as compound purity.
• Stabilizers: If present, they are declared on the CoA. Absence of declaration does not confirm absence—verify before quantitative assays or if stabilizers may interfere with biology.

Batch-to-batch quality

• For potency-sensitive studies, verify purity and identity of the lot via in-house LC–MS/1H NMR when feasible. Record lot number in reports to ensure reproducibility.

Please consult the CoA for this SKU for definitive purity, identification methods (e.g., LC–MS, NMR), residual solvent levels, and any stabilizers.

Reaction and Applications

This product is positioned as a bioactive small molecule for research use (likely as an enzyme inhibitor) rather than as a synthetic reagent.

• Synthetic reaction applications: Not typically applicable. It is not intended as a solvent, catalyst, or building block in preparative organic chemistry.

Research application context (general)

• Small-molecule inhibitors are commonly used in biochemical assays, target validation, cell-based pathway studies, and chemical biology. If this item is a CA IX inhibitor, typical uses include probing carbonic anhydrase IX function in enzymology or hypoxia-related biology. However, target specificity and potency for this exact catalog item are not specified here—consult CoA/literature.

Important note

• Do not rely on generic literature conditions for activity or handling. Confirm concentration, solvent system, and assay compatibility specific to this SKU from the CoA or internal qualification before experimental use.

Reaction Conditions

Not applicable for this item. CA IX-IN-1 is provided as a research bioactive compound, not as a reagent for running chemical reactions.

General assay preparation guidance (literature/general)

• Stock solutions are commonly prepared in DMSO and diluted into assay buffer immediately before use to minimize precipitation.
• Verify compound stability in the chosen solvent and under assay temperature/light exposure.

For any chemical modification or conjugation work, obtain the full structural information from the CoA/SDS before designing reaction conditions.

Safety and Handling

Hazard classification details were not provided in the Product Data. Treat as a laboratory chemical of unknown hazards.

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

General precautions (defer to SDS for authoritative guidance)

• PPE: Use lab coat, safety glasses, and appropriate gloves (e.g., nitrile). Handle powder/solid in a fume hood to minimize dust inhalation.
• Avoid ingestion, inhalation, and skin/eye contact. Use with adequate ventilation.
• Incompatibilities: Without structural information, avoid strong oxidizers and strong acids/bases until compatibility is confirmed.
• First aid (general): In case of contact, rinse affected area with water for ≥15 min and seek medical attention. If inhaled, move to fresh air. If ingested, do not induce vomiting—seek medical care.
• Spill/leak response: Avoid dust generation. Collect with inert absorbent and dispose per institutional and local regulations.
• Waste: Dispose as organic laboratory waste unless SDS/CoA indicate otherwise.

Transport/storage notes

• Shipped in ice chest with ice pads as provided. Store at −20°C per Product Data. Allow to equilibrate to room temperature in a desiccated environment before opening to prevent condensation.

Solvent Selection

Item-specific solubility is not provided; solvent choice should therefore begin with general best practices for bioactive small molecules.

General solvent strategy (literature/general)

• Primary solvent: DMSO is the default for hydrophobic small molecules due to broad solvency and compatibility with biochemical assays at ≤0.1–0.5% v/v final.
• Secondary solvents: DMF or ethanol can assist where DMSO solubility is limited. For purely aqueous applications, use co-solvents or cyclodextrins as appropriate.
• Aqueous vehicles: If water solubility is poor, prepare a concentrated DMSO stock (e.g., 10–50 mM) and dilute into buffer immediately before use; maintain final DMSO within assay tolerance.

Polarity/miscibility (general)

• DMSO: polar aprotic, completely miscible with water and most organics; high dielectric constant (~47, literature).
• Ethanol: polar protic, miscible with water; may affect enzyme activity at ≥1–2% v/v.

Practical tips

• Warm gently (≤37 °C) and vortex/sonicate to aid dissolution; avoid prolonged heating.
• Filter through 0.22 μm if sterile solutions are needed for cell culture work.
• Verify actual solubility for this lot via small-scale tests before preparing bulk solutions.

Storage and Reconstitution

Storage conditions for this item are provided; reconstitution details are not.

• Storage temperature (from Product Data): Store at −20°C.
• Shipping: Ice chest + ice pads (from Product Data).

Item-specific reconstitution

• Solvent, concentration, and stability: Not specified for this item; refer to CoA/Spec Sheet.

General reconstitution guidance for bioactive small molecules (literature/general)

• Allow vial to warm to ambient temperature in a desiccator before opening to prevent condensation. If supplied as a solid, prepare a concentrated DMSO stock (e.g., 10–50 mM) based on actual solubility and molecular weight once known.
• Aliquot stocks into single-use portions to avoid repeated freeze–thaw cycles. Store aliquots at −20°C (or −80°C for long-term) protected from light and moisture.
• Thaw on ice and vortex briefly before use. Discard solutions that show precipitation, discoloration, or activity drift.

Always defer to the CoA/SDS for definitive stability, solvent compatibility, and shelf-life information for this specific SKU.

Structure and Identity

Item-specific identifiers are largely not provided for this listing. Where absent, consult the product CoA/Spec Sheet.

• Product name: CA IX-IN-1 (catalog bioactive small molecule)
• SKU: C1438619
• CAS: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.

Structural features

• Not specified for this item. No ring systems, functional groups, or stereochemical descriptors are available in the provided data.

Contextual note (general)

• “CA IX-IN-1” nomenclature suggests a small-molecule inhibitor intended for biochemical studies of carbonic anhydrase IX (CA IX). However, exact structure and stereochemistry must be verified from the CoA/SDS or primary literature for this specific catalog entry before use in quantitative work or for patent/citation purposes.

Synthetic Utility

This product is intended as a bioactive small-molecule tool and is not positioned as a synthetic building block or reagent in preparative chemistry.

• Reagent role: Not typically applicable. No functional group or reactivity information is provided, and it is not marketed for use in named reactions or as a coupling partner.

General note

• If structural information becomes available and the compound bears synthetically useful handles, derivative synthesis or immobilization could be contemplated. Absent such data, treat it strictly as a final tool compound for biochemical experiments rather than as a synthetic intermediate.

Target Specificity

Item-specific target and selectivity information is not provided in the Product Data for this SKU.

• Target, isoform selectivity, binding mode, and potency (e.g., IC50/Ki) for CA IX-IN-1: Not specified for this item; refer to CoA/Spec Sheet and primary literature if available.

Recommendation

• Perform orthogonal assays and include counter-screens against related carbonic anhydrase isoforms (e.g., CA II, CA XII) to establish selectivity if your application requires it.

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 C1438619, the molecular formula is C16H22N4O8S, and the molecular weight is 430.43 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.