NecroIr1 - ≥98% , CAS No.N658924

CAS: N658924 Cat. No.: N658924 Formule: C₄₀H₂₉ClIrN₅O^- Poids moléculaire: 823.36

QUALITÉ & PURETÉ ≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Vue d’ensemble

NecroIr1 is an iridium(III) complex, serves as necroptosis inducers in Cisplatin ( HY-17394 )-resistant lung cancer cells (A549R). NecroIr1 selectively accumulates in mitochondria, leading to oxidative stress and loss of mitochondrial membrane potential (

Appearance:Solid

IC50& Target:CDK4 RIPK3 RIPK1

In Vitro:NecroIr1 (2 μM; 1-2 d) exerts subcellular distribution over 90% accumulated in mitochondria in non-labelled A549R and CFSElabelled L02 cells. NecroIr1 (1.5 μM and 3 μM; 24 h) results ROS generation increasing and loss of mitochondrial membrane potent

Biological Activity:NecroIr1 is an iridium(III) complex, serves as necroptosis inducers in Cisplatin ( HY-17394 )-resistant lung cancer cells (A549R). NecroIr1 selectively accumulates in mitochondria, leading to oxidative stress and loss of mitochondrial membrane potential (

Spécifications

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

ACTIVATOR

Pureté

≥98%

Noms et identifiants

Poids moléculaire

823.36

Propriétés chimiques et physiques

• Solubilité: DMSO : 100 mg/mL (121.45 mM; Need ultrasonic)

Application Protocols

No validated application protocols, dilutions, or positive controls are provided in the product data for SKU N658924.

General starting points (non-item-specific):

• Stock preparation: prepare a 10–50 mM stock in high-purity DMSO if soluble; filter through 0.22 μm PTFE only if no adsorption is observed. Record exact concentration gravimetrically.
• Plate-based assays: typical top concentrations are 10–50 μM with 8–12 point, 1:3 serial dilutions; maintain constant final DMSO across wells.
• Stability checks: re-read UV–Vis/LC–MS of working solutions at end of assay day to confirm no degradation or adsorption losses.

Always adapt to your assay’s requirements and verify against the CoA/SDS for item-specific constraints.

Biological Roles

No biological target, pathway association, or mechanism is provided for this product.

General considerations for small molecules in discovery (not item-specific):

• If the compound is to be evaluated in cellular assays, first determine cytotoxicity windows (e.g., resazurin/ATP-based viability assays) to establish non-toxic dosing ranges for phenotypic readouts.
• Conduct basic physicochemical profiling (solubility, stability in assay buffer and cell culture media, serum binding) to interpret biological results robustly.
• If fluorescence or absorbance is suspected (name suggests, but not confirmed), perform spectral scans of the working concentration range to detect potential assay interference (inner filter effects, autofluorescence, or quenching).
• Use orthogonal assays to deconvolute redox activity, aggregation, and metal chelation, which can produce false positives. Include detergents (e.g., 0.01% Triton X-100) and counterscreens as appropriate.

All uses are for research only. Do not use in humans or animals for therapeutic, diagnostic, or clinical purposes.

Buffer Applications

This item is not a buffer reagent, and no buffering capacity or pKa data are provided. Therefore, it is not typically used to prepare buffer systems.

Practical notes (general):

• When diluting small-molecule stocks into biological buffers (e.g., PBS, HEPES), ensure the final co-solvent content (DMSO/EtOH) is within assay tolerance, typically ≤0.5–1% v/v.
• Pre-wet pipette tips with stock solution to improve volumetric accuracy at microliter transfers.
• Filter aqueous working solutions (0.22 μm) only if the compound is known to be stable and non-adsorptive to membranes; otherwise, prepare fresh without filtration to avoid loss.

Green Alternatives

Without structure/solubility data, green chemistry guidance focuses on handling and solvent choices rather than the compound itself.

• Prefer greener stock solvents when compatible: ethanol or water/co-solvent systems instead of DMF/NMP where feasible. Validate solubility and assay tolerance.
• For analytical/sample prep: replace acetonitrile partially with ethanol or isopropanol in LC where methods allow, or use water-rich gradients to reduce organic consumption.
• Minimize DMSO usage by preparing higher-concentration master stocks and making small, on-demand dilutions to lower overall solvent waste.
• Inventory management: store at 2–8°C, desiccated (per product data) to reduce degradation and re-synthesis frequency, thereby lowering lifecycle impact.

Illustrative comparison (general, not item-specific):

• DMSO vs. ethanol: DMSO offers broader solvency and chemical stability; ethanol is greener and more biodegradable but may afford lower solubility and volatility-related handling losses.
• DMF/NMP vs. 2-MeTHF/green ethers: DMF/NMP have reproductive toxicity concerns; consider 2-MeTHF or CPME only when chemically appropriate and after confirming solubility and stability.

Adopt microscale experimentation, closed vials, and high-throughput evaporation systems to reduce solvent exposure and waste.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing use is specified. This material is supplied strictly for research use only.

General guidance (non-item-specific):

• If evaluating enabling technologies (e.g., solubilization excipients, lipid carriers) in pre-formulation research, treat this compound as a surrogate API and document solid-state form, hygroscopicity, and crystallinity (XRPD/DSC/TGA) prior to formulation experiments.
• Establish chemical and physical stability in representative formulation matrices (pH range, ionic strength, light exposure) for internal method development only. Do not extrapolate to clinical use.

Physical Properties

Item-specific physical constants are not available in the provided data.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting/boiling point: Not specified for this item; refer to CoA/Spec Sheet.
• Density, refractive index: 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/practice, not item-specific):

• Library screening compounds are frequently supplied as dry powders or DMSO stocks. If received as a powder, initial dissolution trials typically start with anhydrous DMSO, followed by dilution into aqueous buffers containing co-solvent (e.g., 0.1–1% DMSO) if biological assays are intended.
• If the compound is light-sensitive (not specified), protect from light during handling and storage.
• Record the actual concentration of prepared stocks gravimetrically and confirm by UV–Vis only when an extinction coefficient is known (literature), or by quantitative NMR/analytical HPLC with standards.

Quality and Grades

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

Guidance on quality interpretation (general, not item-specific):

• Research-use small molecules are commonly supplied at ≥95% purity by HPLC, but the exact assay, chromatographic method, and detection wavelength must be verified on the CoA for this SKU.
• If optical applications are planned (e.g., if the compound is a dye—unconfirmed), low levels of fluorescent or UV-active impurities can impact data quality. Request UV–Vis/fluorescence purity traces if relevant.
• For screening campaigns, batch-to-batch consistency (purity, counter-ion/solvate content, and residual solvent levels) is critical. Retain CoA lots and qualify new lots via LC–MS comparison.
• If salt form, solvate, or hydrate is relevant, it will be stated on the CoA. Such forms alter molecular weight and solution preparation. In absence of this information, confirm by Karl Fischer (for water content) and TGA (for solvent content) if assay-critical.
• Stabilizers: Not specified for this item; refer to CoA/Spec Sheet. If present, stabilizers may influence bioassays or photophysics; adjust controls accordingly.

Reaction and Applications

This product is listed under a small-molecule/compound library category. No manufacturer application notes are provided beyond “Research use only,” and no reactivity data or functional group information are available.

General research applications for catalog small molecules (non-item-specific):

• Assay development and method qualification: use as a blinded or exploratory chemical standard to validate screening workflows, plate handling, and data pipelines.
• Phenotypic or biochemical screening: compounds are often tested across panels for activity fingerprints, followed by hit triage using dose–response, counterscreens, and orthogonal assays.
• Physical profiling: determination of solubility, stability (pH/light), lipophilicity (shake-flask logD), and permeability (e.g., PAMPA)—useful for comparing series members.

If you intend to employ the material as a synthetic building block or reagent, first establish structure and functional group profile by NMR/LC–MS, then consult the literature for analogous reactivity. In the absence of structure data for this SKU, no named-reaction or mechanistic guidance can be responsibly provided.

Reaction Conditions

No reaction chemistry, functional groups, or transformation data are provided for this SKU; therefore, specific reaction conditions are not applicable.

General exploratory guidance for unknown small molecules (if chemistry is later defined):

• Solvent screening: begin with DCM, THF/2-MeTHF, MeCN, toluene, and EtOAc for neutral chemistry; switch to polar aprotic (DMSO/DMF) for ionic or coupling reactions if compatible with stability.
• Temperature: establish stability at room temperature first; then explore 0–80°C depending on solvent boiling points and decomposition onset.
• Catalysis: if cross-coupling motifs exist (aryl halides/boronates), consult standard Pd/Ni catalyst systems; if carbonyl chemistry dominates, evaluate organocatalysis or base-catalyzed routes. These are generic suggestions and not item-specific.

Until structural data are available, treat the compound as a test article rather than a reagent.

Safety and Handling

Hazard classification details are not provided in the product data.

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

General laboratory safety guidance (best practice):

• Wear appropriate PPE: lab coat, safety glasses, and nitrile gloves. Handle in a fume hood to avoid inhalation of dusts/vapors/aerosols.
• Avoid moisture ingress and temperature excursions; the product should be stored at 2–8°C, desiccated (per product data). Keep container tightly closed when not in use.
• Incompatibilities are unknown; segregate from strong oxidizers, strong acids/bases, and reducing agents until compatibility is known (general precaution).
• First aid (overview; defer to SDS): upon skin contact, wash with soap and water; eye contact, rinse cautiously with water for several minutes; inhalation, move to fresh air; ingestion, seek medical attention. Provide the SDS to medical personnel.
• Waste disposal: collect organic waste in labeled containers according to your institution’s hazardous waste program. Do not release to drains.
• If powder handling generates static or dust, use grounding and minimize dust formation.

Solvent Selection

Item-specific solubility is not provided. The following are general decision pathways for small molecules in discovery workflows:

• Primary stock solvent: Anhydrous DMSO is the default for diverse heterocycles and conjugated organics due to broad solvency, low volatility, and assay compatibility at ≤0.5–1% v/v in aqueous systems (general practice).
• Secondary solvents: DMF or NMP (for difficult cases), ethanol or isopropanol (when greater biocompatibility is needed), or acetonitrile for HPLC sample prep. Choose based on assay tolerance and compound polarity.
• Aqueous compatibility: If aqueous delivery is required, dissolve in DMSO or ethanol first, then titrate into buffer under vortexing to avoid precipitation. Include small amounts of non-ionic surfactant (e.g., 0.01–0.05% Tween 80) only if assay permits.
• pH adjustment: If the compound bears ionizable groups (unknown here), buffering near one pKa unit from the pKa can enhance solubility (Henderson–Hasselbalch guidance, literature). Do not exceed assay-compatible ionic strength.
• Analytical solvents: For LC–MS, use water/acetonitrile (0.1% formic acid for positive mode; 5–10 mM ammonium acetate for negative mode) unless compound stability dictates otherwise.

Always verify solvent suitability and stability by small-scale tests and orthogonal purity checks (LC–UV and LC–MS).

Storage and Reconstitution

• Storage conditions (product data): Store at 2–8°C, desiccated. Shipments are on wet ice to maintain temperature control during transit.
• Long-term stability: Not specified for this item; refer to CoA/Spec Sheet.
• Light sensitivity: Not specified for this item; as a precaution, store in amber or foil-wrapped secondary containment until characteristics are known.
• Reconstitution solvent: Not specified for this item; refer to CoA/Spec Sheet. In practice, start with anhydrous DMSO for small-molecule stocks unless contraindicated by the CoA.
• Working solutions: Prepare fresh before use. If freeze–thaw is unavoidable, aliquot concentrated stock into single-use vials to minimize cycles. Avoid storing diluted aqueous solutions unless stability is demonstrated.
• Container considerations: Use low-bind polypropylene for DMSO stocks; pre-rinse glassware if adsorption is suspected.
• Moisture control: Open the container only after equilibrating to room temperature in a desiccator to prevent condensation. Reseal promptly with desiccant present in secondary packaging.

Always consult the item-specific CoA and SDS for definitive stability, compatibility, and shelf-life information.

Structure and Identity

A research-use-only small molecule sold under the tradename “NecroIr1.” Detailed structural identifiers are not provided in the 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.
• InChI / InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• CAS: N658924 (catalog placeholder; not a registry-validated CAS number)
• Structural features: Not specified for this item; refer to CoA/Spec Sheet.

Notes for identification (general guidance):

• For definitive identity confirmation in your lab, consider orthogonal techniques such as high-resolution MS, 1H/13C NMR, and LC–MS purity profiles.
• If the compound is fluorescent or chromophoric (not confirmed here), UV–Vis and fluorescence spectra can serve as additional orthogonal identifiers. Always verify against the CoA when available.

Synthetic Utility

No structural information or functional groups are provided; thus, this item cannot be positioned as a synthetic reagent or building block based on the available data.

If synthetic use is contemplated (general guidance):

• Confirm structure and purity by NMR and HRMS; identify functional groups and potential protecting groups.
• Assess stability to common conditions (acid/base, redox, heat, light) via small-scale stress tests.
• Map plausible transformations by analogy to literature compounds sharing core scaffolds. Validate with micro-scale reactions before committing material.

In the absence of an identified scaffold, no specific named-reaction utility or retrosynthetic roles can be responsibly described.

Target Specificity

Target, selectivity profile, and binding data are not provided for this product.

• Target/epitope: Not specified for this item; refer to CoA/Spec Sheet.
• Species reactivity/assay class: Not specified for this item; refer to CoA/Spec Sheet.

If target studies are intended (general guidance): include orthogonal biophysical assays (e.g., DSF, SPR, MST, ITC) and broad counterscreens to identify off-target or assay-interference behaviors before drawing mechanistic conclusions.

Foire aux questions

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 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. 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 N658924, the molecular formula is C40H29ClIrN5O-, and the molecular weight is 823.36 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.