Necrox-2 - ≥98% , CAS No.1120333-38-1

CAS: 1120333-38-1 Cat. No.: N386066 Formula: C₂₅H₃₂N₄O₄S₂ Molecular Weight: 516.67

GRADE & PURITY ≥98%

Synonyms

Necrosis Inhibitor | [5-(1,1-Dioxo-thiomorpholin-4-ylmethyl)-2-phenyl-1H-indol-7-yl]-(1-methanesulfonyl-piperidin-4-yl)-amine

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Necrox-2 is a cell-permeable necrosis inhibitor. Primarily localizes in mitochondria and also possesses antioxidant properties. Necrox-2 selectively blocks oxidative stress-induced necrotic cell death.
Necrox-2is a cell-permeable necrosis inhibitor and antioxidant

Specifications

Synonyms

Necrosis Inhibitor | [5-(1,1-Dioxo-thiomorpholin-4-ylmethyl)-2-phenyl-1H-indol-7-yl]-(1-methanesulfonyl-piperidin-4-yl)-amine

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Molecular Weight

516.67

Chemical and Physical Properties

• Solubility: Soluble in DMSO (＞ 10 mg/ml).

Application Protocols

No tested applications are provided for this product; the following are general, non-item-specific guidelines for using small-molecule screening compounds in biochemical or cell-based assays.

• Stock preparation
  • Dissolve the compound in anhydrous DMSO to prepare a concentrated stock (e.g., 10–50 mM), if compatible. Record exact concentration gravimetrically or by UV if the extinction coefficient is known (otherwise, establish a calibration curve).
  • Aliquot into low-bind tubes or 96/384-well source plates. Avoid repeated freeze–thaw by using single-use aliquots.
• Working solution and dosing
  • Prepare serial dilutions in DMSO (e.g., 1:3 or 1:10 series), then back-dilute into assay buffer or media to the final vehicle level (commonly ≤0.1–1% DMSO v/v). Mix thoroughly to prevent precipitation.
  • Include vehicle controls and, where possible, a positive reference control of known activity.
• Aggregation and interference controls
  • Add 0.01–0.05% non-ionic detergent (e.g., Tween-20) where appropriate to minimize colloidal aggregation. Run counterscreens to detect redox cycling, metal chelation, or fluorescence/absorbance interference.
• Data quality
  • Run assays in technical triplicate and at least biological duplicate. Fit concentration–response with appropriate models; examine Hill slopes and residuals. Confirm hits using orthogonal modalities.

These procedures should be adapted based on the authenticated structure and stability characteristics of the specific lot you receive.

Biological Roles

No biological mechanism-of-action or target specificity has been provided for this catalog item.

• Not specified for this item; refer to CoA/Spec Sheet and primary literature. The trade name “Necrox-2” alone is insufficient to establish biological role, target engagement, or pathway effects.

• General guidance for small-molecule tool compounds (non-item-specific)

  • When investigating biological activity, establish a robust MoA hypothesis and test with orthogonal assays (e.g., biochemical plus cell-based; genetic rescue where feasible). Include counter-screens to exclude assay interference (fluorescence quenching, redox cycling, metal chelation, detergent-like effects, or aggregation).
  • Determine solubility and stability in the exact assay matrix. Monitor for adsorption to plastics or serum proteins, and assess vehicle (DMSO) tolerance of the system.
  • Conduct preliminary concentration–response with wide range (e.g., 0.1 nM–100 µM), then refine. Record Hill slopes and verify the absence of cytotoxicity/artifacts via appropriate controls (vehicle, inactive analogs, orthogonal readouts).
  • If the compound is light-sensitive or redox-active, protect from light and oxygen; verify with stability-indicating LC–MS.

• Research Use Note

  • For research use only; not for diagnostic procedures or therapeutic applications. Any biological claims should be backed by your own data or authoritative peer-reviewed sources specific to the exact structure supplied under this SKU.

Buffer Applications

This product is a discrete small-molecule screening compound and is not a buffering agent.

• Applicability

  • Not typically used to prepare buffer systems or to control pH in biochemical assays.

• Practical note

  • If incorporating the compound into buffered solutions for biological testing, choose a buffer appropriate to your target system (e.g., PBS, HEPES, Tris), and verify compound stability and solubility in that buffer at the working pH. Maintain the lowest feasible co-solvent percentage (e.g., DMSO ≤0.1–1% v/v) to avoid perturbing buffer capacity or biological response.

Green Alternatives

This product is a discrete small-molecule screening compound rather than a consumable reagent or solvent, so “green alternatives” are not directly applicable in the same sense as for reaction solvents or bulk reagents. Nevertheless, you can reduce environmental impact in the way you handle, formulate, and dispose of the compound.

• Greener handling strategies (general)
  • Use minimal effective volumes for stock solutions and assays to reduce solvent consumption (particularly DMSO, DMF, ACN).
  • Prefer aqueous assay media with the lowest feasible co-solvent percentage; validate activity to avoid rework.
  • Consolidate shipments and choose ambient/refrigerated shipping only as required by stability data to lower cold-chain emissions.
• Recommended solvent hierarchy (when applicable)
  • Favor ethanol, isopropanol, water where compatible; reserve DMSO as needed; avoid DMF/NMP unless necessary, due to reproductive toxicity concerns (literature).
• Waste minimization
  • Pool compatible organic wastes, label clearly, and engage solvent recycling where available. Employ microscale workflows (HTS/µHTS) to cut waste at source.
• Safer product stewardship
  • Maintain accurate inventory and share aliquots internally to prevent unnecessary re-synthesis or procurement.

Because the compound’s identity is not disclosed here, there is no structurally matched “greener analog” to recommend. Apply institutional green chemistry policies to the solvents and processes around its use.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation guidance is provided for this item, and it is supplied strictly for research use only.

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

• Scope limitation

  • Do not use in humans or for clinical diagnostics. No claims are made about suitability for GMP manufacturing, GLP toxicology, or therapeutic application.

• General considerations (non-item-specific) for researchers exploring pre-formulation characteristics

  • If pre-formulation studies are contemplated, determine salt/solid form, polymorphism, and hygroscopicity. Evaluate pH–solubility profiles, pKa, logP/logD, and permeability (e.g., PAMPA) to guide enabling strategies.
  • For parenteral prototypes (research only), assess compatibility with co-solvents (ethanol/propylene glycol), surfactants (polysorbates), and cyclodextrins; ensure sterility and endotoxin control in appropriate facilities. For oral prototypes, examine dissolution across biorelevant media.

• Documentation

  • Any pharmaceutical development work must be based on a fully authenticated structure and comprehensive analytical characterization of the exact lot under study.

Physical Properties

Item-specific physicochemical data have not been provided for this product.

• Not specified for this item; refer to CoA/Spec Sheet

  • Molecular Weight: Not specified.
  • Molecular Formula: Not specified.
  • Melting/Boiling Point: Not specified.
  • Density / Refractive Index: Not specified.
  • pKa / logP / logD: Not specified.
  • Aqueous Solubility: Not specified.
  • UV-Vis/Fluorescence characteristics: Not specified.

• Practical guidance (general, non-item-specific)

  • Many screening compounds are most conveniently handled as DMSO stock solutions (e.g., 10–50 mM). If the solid is provided, determine solubility empirically in dry DMSO, DMF, methanol, ethanol, or aqueous buffers with co-solvent.
  • If spectroscopic quantification is desired, determine the compound’s extinction coefficient in the selected solvent by recording a calibration curve rather than assuming literature values.
  • For ionizable small molecules, pH can dramatically alter solubility and partitioning. Aqueous compatibility may be improved by small percentages of DMSO (≤1% v/v in final biological media is often used to limit vehicle effects).
  • If thermal properties (mp/bp) are important for formulation or processing, perform DSC/TGA to identify phase transitions or decomposition on heating.

Always defer to the product’s CoA and SDS for authoritative physical data specific to this SKU.

Quality & Grades

• Item-specific quality status

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

• Interpreting quality for screening compounds (general guidance)

  • For small-molecule libraries, typical release tests include identity (1H/13C NMR, HRMS or LC–MS), purity by HPLC/UPLC (often area % at a specified wavelength), residual solvents, and water content (Karl Fischer) as appropriate. Where applications are biophysical or cell-based, low non-volatile residue and minimal fluorescent/UV impurities can be important.
  • If HPLC purity is reported, understand the detection parameters (wavelength, gradient, column) because UV response factors vary across chemotypes. Orthogonal purity assessment (e.g., ELSD, CAD) can detect non-UV impurities.
  • Stability: request or generate short-term stability-indicating LC methods to monitor potential degradation (oxidation, hydrolysis, isomerization). Document freeze–thaw tolerance for DMSO stocks.
  • If the compound is salt-form or solvate, verify counterion/stoichiometry, as it affects MW, solubility, and dosing.

• Documentation

  • Rely on the lot-specific CoA for definitive purity, identification, and analytical methods. Contact Aladdin Scientific for representative spectra or additional QC documentation where required for regulated workflows (for research use only).

Reaction & Applications

This SKU is part of a small-molecule/compound library and is intended primarily as a screening or reference compound rather than a general-purpose synthetic reagent.

• Not typically applicable as a reagent
  • Without a disclosed structure, it is inappropriate to ascribe participation in specific reaction families (e.g., cross-coupling, nucleophilic substitutions, condensations).
• Potential research applications (general, non-item-specific)
  • Use as a tool compound in biochemical, cellular, or phenotypic screening, where the readout is activity- or binding-based. Ensure orthogonal confirmation methods (e.g., counter-screens, aggregation controls) are in place.
  • Analytical reference in LC–MS method development, retention time mapping, or system suitability if physico-chemical properties are known.
• Practical guidance
  • If you intend to derivatize or conjugate the molecule, first obtain the exact structure and functional group inventory from the CoA/Spec Sheet. Validate reactivity on micro-scale before committing material.
  • For photochemical or redox-sensitive scaffolds, protect from light and oxygen during handling (amber vials, inert gas headspace). Absent structure information, such precautions are prudent for high-value library members.

For classical synthetic reaction applications, select a reagent-grade material with a known structure; this product is best employed for discovery and screening contexts.

Reaction Conditions

Not applicable in the absence of a defined role as a reagent and without a disclosed structure.

• This product is sold as a research-use small molecule for screening. No standard reaction conditions, catalysts, or yields can be provided.

• General method-development advice (if you later use the compound in synthesis or analytics)

  • For LC–MS analytical methods, begin with water/acetonitrile or water/methanol gradients with 0.1% formic acid (ESI+). Adjust pH and buffer (e.g., 5–10 mM ammonium formate/acetate) to optimize peak shape and ionization.
  • For stability studies, incubate small aliquots at set temperatures (e.g., 4, 25, 37°C) and in light/dark conditions; analyze by LC–MS to detect degradation pathways (oxidation, hydrolysis).

For any use beyond screening, obtain the exact structural information and consult primary literature for reaction-specific conditions.

Safety & Handling

Safety information specific to this item is limited in the Product Data.

• Not specified for this item; refer to SDS
  • GHS Classification / Pictograms / Signal Word / H-Statements: Not specified for this item; refer to SDS.
• Known conditions from Product Data
  • Storage: 2–8°C. Shipped on wet ice, indicating stability under refrigerated conditions during transit.
• General laboratory precautions for small-molecule screening compounds (non-item-specific)
  • Handle in a chemical fume hood; avoid inhalation, ingestion, and skin/eye contact. Wear appropriate PPE: lab coat, safety glasses, and nitrile gloves (double-glove if handling concentrated DMSO solutions that enhance dermal absorption).
  • Assume unknown toxicity; minimize exposure and prevent aerosolization or dust formation if a solid.
  • Avoid incompatible reagents until known (strong oxidants/reductants, strong acids/bases) and segregate from foodstuffs and oxidizers.
  • For spills: contain with inert absorbent, collect in a sealable container for disposal according to institutional and local regulations.
  • First aid (general): in case of skin contact, wash with soap and water; for eye contact, rinse cautiously for ≥15 min; if inhaled, move to fresh air; if ingested, seek medical attention. Always follow your institution’s emergency procedures and the SDS.
• Waste disposal
  • Collect solutions and contaminated materials as organic chemical waste. For DMSO stocks, dispose as halogen-free organic waste unless otherwise indicated by the SDS.

Consult the official SDS supplied with the product lot for definitive hazard and response information.

Solvent Selection

Because exact structure and polarity are not provided for this SKU, solvent choices should be determined empirically. The following guidance reflects common practice for small-molecule screening compounds.

• Primary stock solvent (typical)
  • DMSO (anhydrous): First-line solvent for 10–50 mM stocks due to broad solubilizing power and compatibility with HTS workflows.
• Secondary options (if DMSO solubility is limited)
  • DMF or NMP: High-boiling, polar aprotic solvents that often dissolve heteroaromatic scaffolds; use caution in biological systems (vehicle effects).
  • Methanol/Ethanol/Isopropanol: Useful for moderately polar compounds; commonly acceptable up to ~0.1–0.5% v/v in biological assays.
  • Acetonitrile: Good for analytical dilutions and some formulations; miscible with water and many organics.
• Aqueous systems
  • Prepare aqueous working solutions by serial dilution of the organic stock into buffer with vigorous mixing. Maintain final DMSO ≤0.1–1% v/v for most cells/enzymes unless validated otherwise. Consider surfactants (0.01–0.05% Tween-20) to mitigate adsorption for hydrophobic compounds.
• Practical tips
  • Filter sterilize only if the compound is known to be filter-stable and non-adsorptive; otherwise, prepare fresh sterile stocks in a biosafety cabinet.
  • To enhance solubility, adjust pH if the compound is ionizable; however, do not assume ionization state in the absence of structure—verify experimentally.
  • For analytical method development, start with ACN/water + 0.1% formic acid (LC–MS) or MeOH/water gradients; adjust based on retention and ionization.

Document the final solvent composition and vehicle percentage in all assays to ensure reproducibility.

Storage & Reconstitution

• Item-specific conditions (from Product Data)

  • Storage: Store at 2–8°C.
  • Shipping: Shipped on wet ice.

• Not specified for this item; refer to CoA/Spec Sheet

  • Appearance (solid/liquid), stabilizers, hygroscopicity, and light sensitivity: Not specified for this item; refer to CoA/Spec Sheet.

• General guidance for small-molecule screening compounds (non-item-specific)

  • If supplied as a solid: store in the original, tightly closed container under dry, inert atmosphere where feasible. Protect from light until stability is known. Allow vial to equilibrate to room temperature before opening to prevent moisture condensation.
  • If supplied as a solution: verify solvent system on the label/CoA. Keep tightly closed at 2–8°C. For long-term storage, consider aliquoting and freezing (e.g., −20°C) if the compound is freeze–thaw tolerant; otherwise, avoid repeated freeze–thaw cycles.
  • Reconstitution: commonly reconstituted in anhydrous DMSO to make 10–50 mM stocks. Sonication or gentle warming (≤40°C) can assist dissolution; avoid prolonged heating. Filter only if the compound is known to be filter-stable and non-adsorptive.
  • Stability monitoring: use a stability-indicating HPLC/LC–MS method to check for degradation upon storage (initial, post-aliquoting, and periodically). Record storage history and lot/aliquot IDs for traceability.

All handling is for research use only. Defer to the lot-specific CoA and SDS for definitive storage and reconstitution instructions.

Structure & Identity

Brief overview: This listing is for Necrox-2, supplied as a research-use small molecule in a screening/compound library context.

• Item-specific identifiers (from Product Data)
  • Product Name: Necrox-2 (SKU: N386066)
  • CAS: 1120333-38-1
  • Category Path: 小分子和化合物库 (Small molecules and compound libraries)
  • Storage: 2–8°C; shipped on wet ice
• Not specified for this item; refer to CoA/Spec Sheet
  • Chemical Name: 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.
  • SMILES / InChI / InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Structural description (general guidance)
  • The trade name “Necrox-2” does not, by itself, define the exact structure. Many screening library items are heteroaromatic small molecules with one or more ionizable functional groups, but without the authenticated structure for this specific catalog item, no structural features can be asserted.
• Best practice
  • Consult the item’s Certificate of Analysis (CoA) or Specification Sheet for definitive structural identifiers (canonical SMILES, InChIKey), elemental composition (CHN), and any spectral characterization (1H/13C NMR, MS, HPLC). Where critical to your workflow (e.g., docking, SAR, analytical methods), confirm the structure by orthogonal methods.
• Research Use Note
  • For research use only; not for diagnostic or therapeutic applications.

Synthetic Utility

With no disclosed structure or functional group information for this SKU, specific synthetic transformations cannot be recommended.

• Not typically used as a general synthetic building block

  • Screening library members are usually handled as final compounds for testing; derivatization without structure knowledge is not advised.

• If derivatization is intended (general guidance)

  • Obtain complete structural and analytical data (including functional groups, protecting groups, and any salt/counterion). Consider making a limited set of analogs only after mapping key liabilities (metabolic hotspots, photolability, reactive functionalities).
  • For conjugations (e.g., biotinylation, fluorophore tagging), select chemistries compatible with known functionalities (amine, carboxylate, azide/alkyne if present). Absent such knowledge, do not proceed.

• Retrosynthetic considerations (general, literature-level)

  • Heteroaromatic small molecules often arise from cross-couplings (Suzuki–Miyaura, Buchwald–Hartwig), nucleophilic aromatic substitutions, or condensations. If you independently determine that Necrox-2 matches a known scaffold, consult the relevant literature for robust, high-yielding routes and late-stage diversification tactics.

Consult the CoA/Spec Sheet or contact Aladdin Scientific for structure-confirmed guidance.

Target Specificity

No target, enzyme, receptor, or pathway specificity is provided for this product.

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

If you plan to use this compound as a tool molecule, design experiments to confirm specificity:

• Employ orthogonal assays and counter-screens against related targets.
• Assess off-target activity with profiling panels where feasible.
• Validate findings with structural analogs or genetic perturbation (knockdown/knockout) studies.

All uses are for research only.

Frequently Asked 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. Refrigerated storage is required to maintain the specified shelf life.

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 1120333-38-1, the molecular formula is C25H32N4O4S2, and the molecular weight is 516.67 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.