IR-34 , CAS No.1895075-93-0

CAS: 1895075-93-0 Cat. No.: I1450288 Fórmula: C₄₈H₆₂BrClN₄O₆ Peso molecular: 906.39

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

IR-34 is an indole cyanine dye.

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Peso molecular: 906.39

Application Protocols

No validated application protocols are provided for IR-34 in the Product Data. The following are general best practices for bringing a new small-molecule reagent into use:

• Stock preparation: Determine solubility empirically. Prepare concentrated stocks (e.g., 10–100 mM) in a suitable solvent, filter (0.2 µm PTFE/PVDF), and aliquot to minimize freeze–thaw cycles.
• Method qualification: For analytical or imaging applications, establish calibration curves, signal linearity, and stability over the measurement window. For biochemical assays, include appropriate positive/negative controls and solvent-only controls.
• Documentation: Record lot number, preparation date, solvent, concentration, and storage conditions on each aliquot.

Because no item-specific protocols or performance specifications are available, users should validate conditions within their own systems.

Biological Roles

Item-specific biological functions or targets are not provided for IR-34. No mechanism-of-action, binding partners, or metabolic pathways are specified.

General guidance for life science reagents (non-clinical use only):

• If the compound is intended as a biochemical probe, determine its specificity and off-target profile using orthogonal assays and appropriate negative/positive controls.
• Establish stability in relevant biological matrices (buffers, serum, lysate) and assess nonspecific binding to plastics and proteins.
• Define carry-over limits and maximum tolerated co-solvent concentrations for cell-based work (e.g., DMSO ≤0.1–0.5% v/v unless otherwise validated).
• Quantify uptake/partitioning using LC–MS or spectroscopic readouts if applicable.

Note: For this item, no biological role is claimed or implied. For research use only; not for use in humans or animals.

Buffer Applications

No buffer system or pKa information is specified for IR-34, and it is not presented as a buffering reagent.

• If preparing assay stocks or working solutions, select buffers based on the compound’s ionization behavior and stability (to be determined experimentally). Common biological buffers include PBS, HEPES, Tris, and ammonium bicarbonate (for LC–MS workflows); however, compatibility with IR-34 is unknown.
• For poorly water-soluble compounds, consider co-solvents (≤1–2% DMSO or MeCN) and gentle warming/sonication, then sterile-filter (0.22 µm) if used in cell culture assays.

Conclusion: Buffer formulation is not typically applicable without solubility/acid–base data. Consult the CoA/Spec Sheet and perform small-scale compatibility tests.

Green Alternatives

No item-specific solvent or reagent role is defined for IR-34. The following green chemistry considerations address common decision points when dissolving, formulating, or processing small organic molecules (general guidance):

• Prefer bio-based or lower-toxicity solvents when feasible: EtOAc, MeTHF, CPME, 2-propanol, dimethyl carbonate, propylene carbonate.
• Use water or aqueous-organic mixtures where solubility and stability permit; buffer with benign salts (ammonium acetate/bicarbonate) for LC compatibility.
• Minimize DMSO/DMF/NMP use in scale-up; consider MeCN or green ethers (MeTHF/CPME) as functional alternatives, recognizing differences in polarity and reaction compatibility.
• Apply microscale screening to reduce waste; adopt closed-loop solvent recovery and cold storage energy minimization (aliquoting to avoid repeated freeze–thaw cycles).

Illustrative comparison (literature/general):

• MeTHF vs THF: similar solvency with improved safety/peroxide profile; immiscible with water.
• CPME vs MTBE: broader liquid range, better stability; distinct polarity.
• EtOAc vs DCM: lower toxicity, biodegradable; note lower density and different selectivity.

Select greener options only after confirming IR-34’s solubility and stability—no compound-specific recommendations are available.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation use is specified for IR-34. This product is supplied strictly for research use only and is not intended for human or veterinary applications.

General manufacturing/formulation notes (for non-clinical research):

• If a solution concentrate is required (e.g., for in vitro testing), select pharmaceutically acceptable solvents/excipients only when justified by the experimental context and institutional policies. Typical non-clinical vehicles include aqueous buffers with low percentages of EtOH/PEG400/propylene glycol or DMSO.
• Assess filterability (0.22 µm), pH stability, and adsorption to container surfaces for accurate dosing in preclinical in vitro studies.

No therapeutic claims are made or implied for this product.

Physical Properties

Item-specific physical 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 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 profile: Not specified for this item; refer to CoA/Spec Sheet.
• LogP / pKa: Not specified for this item; refer to CoA/Spec Sheet.

General guidance on characterizing unknown solubility (literature/general)

• Begin with a small-scale solubility screen across typical laboratory solvents at room temperature: water, PBS, MeOH, EtOH, i-PrOH, acetonitrile, acetone, DMSO, DMF, ethyl acetate, toluene, and hexane.
• For analytical quantitation, prepare standard curves using a solvent in which the compound is fully dissolved; filter (0.2 µm PTFE) before injection to HPLC/UPLC.
• If the material appears colored or conjugated, UV–Vis scans (200–800 nm) can define λmax; nonetheless, no spectral data are provided for this item—confirm experimentally.

Quality and Grades

Item-specific quality information

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

Interpreting grade and purity (general guidance for small-molecule research reagents)

• When not stated, purity is typically provided on the lot-specific CoA by HPLC/UPLC area % and sometimes by NMR assay. Impurity profiles (residual solvents, inorganics, related substances) may be listed separately.
• If optical properties are relevant (e.g., for imaging probes), low-fluorescence solvents and low-UV absorbing impurity specifications may be included for high-end research grades; verify on the CoA when planning quantitative spectroscopy.
• Stabilizers, counterions, or salt forms may be used to enhance shelf-life or solubility. None are specified for this item; confirm whether the product is a free base/free acid, zwitterion, or salt.

Recommendations

• Request the latest CoA for your lot to confirm assay, water/volatile content (KF/LOD), residual solvent levels, and any stabilizers.
• If your application is sensitive (e.g., quantitative bioassays, photophysics), consider verifying purity by orthogonal methods (HPLC with diode array, LC–MS, NMR) prior to use.

Reaction and Applications

Manufacturer application notes are not provided for this item. Without structural information, specific reaction roles cannot be assigned. The following are pragmatic steps to position an unfamiliar small-molecule reagent within a workflow (general guidance):

• Initial characterization: Acquire 1H/13C NMR, HRMS/LC–MS, and HPLC to confirm identity/purity. If colored, record UV–Vis; if emissive, collect excitation/emission spectra for internal reference.
• Stability mapping: Test stability in air, light, moisture, and at elevated temperatures (e.g., 40–60°C) to define handling limits. Evaluate hydrolytic stability across pH 2–10 for aqueous applications.
• Applications triage: Use CAS 1895075-93-0 in literature databases (SciFinder, Reaxys, PubChem) to locate reported uses, if any. Align solvent and storage with published precedents.
• If used as an analytical probe (general): Validate linearity, dynamic range, and photostability; establish extinction coefficient and quantum yield where applicable.
• If used as a synthetic intermediate (general): Examine functional groups for compatibility with standard transformations (acylations, cross-couplings, reductions/oxidations) and set protection strategies accordingly.

Because item-specific functional groups and reactivity are not specified, treat IR-34 as a general organic reagent until concrete application data are obtained.

Reaction Conditions

No reaction condition data (solvents, catalysts, temperatures, or yields) are specified for IR-34. The following is general, literature-based guidance for method development when introducing an unfamiliar small molecule into a transformation:

• Solvent scouting: Begin with DMSO, DMF, MeCN, toluene, 1,4-dioxane/MeTHF, or aqueous-organic mixtures, chosen to match substrate polarity and base/nucleophile requirements.
• Atmosphere and moisture: Unless known to be robust, run initial trials under N2/Ar with anhydrous solvents and molecular sieves as needed.
• Temperature/time: Screen 20–100°C depending on method class; use microwave acceleration judiciously once baseline stability is established.
• Catalysts/bases: Select catalysts appropriate to the functional groups identified (e.g., Pd for cross-coupling; organocatalysts for condensations). Start with standard loadings (1–5 mol% for homogeneous metal catalysts; stoichiometric to slight excess for bases/nucleophiles) and refine iteratively.
• Analytics: Monitor by TLC, HPLC/UPLC, or LC–MS. Confirm conversion and side-products via NMR and HRMS.

These are general practices only; no item-specific reaction conditions are claimed for IR-34.

Safety and Handling

GHS information (item-specific)

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

Storage & shipping (item-specific)

• Storage: Store at −20°C (per Product Data). Keep container tightly closed. Use a desiccator and inert headspace when feasible to minimize hydrolysis/oxidation (general best practice).
• Shipping: Ice chest + ice pads (per Product Data).

General laboratory precautions (defer to SDS for authoritative guidance)

• Handle in a chemical fume hood with standard PPE: lab coat, safety glasses, and appropriate chemically resistant gloves. Avoid inhalation of dust/aerosols and contact with skin/eyes.
• Prevent cross-contamination by using dedicated spatulas and clean glassware. For hygroscopic or air-sensitive materials, work rapidly and reseal promptly.
• 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, rinse mouth—seek medical attention in all cases (general guidance).
• Incompatibilities and reactivity are not specified; until known, avoid strong oxidizers/reducers, strong acids/bases, and reactive metals. Dispose of waste according to institutional and local regulations.

Solvent Selection

Item-specific solubility data are not provided. The following is general, method-focused guidance to establish a workable solvent system for small organic research reagents.

• Screen by polarity: Test DMSO and DMF (highly polar aprotic), MeOH/EtOH/i-PrOH (polar protic), MeCN/acetone/EtOAc (medium polarity), and toluene/MTBE/hexane (nonpolar). Start with 1–10 mg/mL trials.
• Aqueous use cases: If water solubility is required, evaluate co-solvent approaches (e.g., 1–10% DMSO or MeCN), pH adjustment for ionizable compounds, or inclusion complexes (cyclodextrins). Verify stability in the chosen medium.
• Chromatography compatibility: For LC–MS assays, MeCN/Water or MeOH/Water with 0.1% FA/AmAc are common; avoid non-volatile buffers if MS detection is needed.
• Material compatibility: Use glass vials for DMSO/DMF; confirm elastomer compatibility for autosampler caps. Filter solutions through 0.2 µm PTFE (or PVDF for aqueous) prior to analysis.

Comparison (general):

• DMSO: highest solvency for many organics; viscous, hygroscopic; often suitable for −20°C stocks.
• MeCN: LC-compatible, low viscosity; limited for very hydrophobic analytes.
• EtOH: benign profile; can support biological assays at ≤1–2% v/v in media.

Note: Select the solvent only after confirming identity and stability; no item-specific solvent recommendations are available for IR-34.

Storage and Reconstitution

Item-specific storage

• Store at −20°C (per Product Data). Maintain in a tightly closed container. Use a desiccator if moisture sensitivity is suspected. Protect from extreme temperature fluctuations during handling.
• Shipping: Ice chest + ice pads (per Product Data). Inspect upon receipt; allow to equilibrate to room temperature in a desiccator before opening to avoid condensation.

Reconstitution and aliquoting (general guidance)

• Because solvent and solubility are not specified for this item, perform a small-scale solubility screen to identify a suitable vehicle (e.g., DMSO, MeOH, MeCN, aqueous buffer with co-solvent). Prepare concentrated, sterile-filtered stocks where applicable.
• Aliquot into single-use vials to avoid repeated freeze–thaw. Label with lot number, solvent, concentration, and date.
• For long-term storage of solutions, −20°C is typically appropriate for many organic compounds; confirm stability experimentally. Avoid frost-free freezers that cycle in temperature.

Stability notes

• No stabilizers, salt forms, or degradation pathways are specified for this item. Verify stability by periodic HPLC/LC–MS checks. If precipitation or discoloration occurs, discard and prepare fresh material.

For all critical parameters not listed above, consult the CoA/Spec Sheet and SDS.

Structure and Identity

Item-specific identifiers

• SKU: I1450288
• Product Name: IR-34
• CAS: 1895075-93-0
• Category: Life Science reagent (research use only)

Molecular identifiers (item-specific)

• 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.

Structural description

• Structural features (ring systems, functional groups, stereochemistry): Not provided in the product data. Please consult the Certificate of Analysis (CoA) or Technical Data Sheet for structural details, or query by CAS in primary literature and spectral databases.

Notes for identity confirmation (general guidance)

• For small-molecule reagents where structure is not listed, identity is commonly confirmed by a combination of 1H/13C NMR, HRMS/LC–MS, and HPLC purity profiling (literature/general).
• If the substance is a dye or chromophore-like material (name suggests “IR-”), UV–Vis and fluorescence spectra are often diagnostic; however, no spectral properties are specified for this item—verify with CoA/SDS.

Synthetic Utility

The specific functional groups and reactivity of IR-34 are not disclosed in the Product Data. Consequently, detailed synthetic roles cannot be assigned. The following considerations outline a general approach to integrating an unfamiliar small molecule into synthesis workflows:

• Functional group survey (general): Use NMR (1H, 13C, DEPT, HSQC/HMBC), IR, and HRMS to identify key moieties (carbonyls, heterocycles, halides, amines, sulfonyls, etc.). This guides compatibility with nucleophilic/electrophilic steps, oxidations/reductions, and cross-couplings.
• Protection strategy: If polyfunctional, select orthogonal protecting groups aligned with downstream conditions (acid/base/fluoride-labile).
• Coupling and derivatization: For aryl/heteroaryl scaffolds (if present), evaluate Suzuki/Negishi/Buchwald–Hartwig reactions; for carbonyl derivatives, apply acylations, condensations, or reductive aminations as relevant (literature/general).
• Purification: Plan for reversed-phase or normal-phase chromatography based on polarity; colored/conjugated compounds may benefit from reversed-phase methods with volatile buffers for LC–MS tracking.

Without structure-specific information, treat IR-34 as a generic organic reagent until verified by CoA and analytical data.

Target Specificity

Target information is not applicable to this listing. No antigen, epitope, clone, isotype, or species reactivity is provided, and IR-34 is not described as an antibody, protein, or biological targeting reagent in the Product Data.