SU1261 , CAS No.S1447733

CAS: S1447733 Cat. No.: S1447733 Formula: C₂₇H₂₁N₅O Molecular Weight: 431.49

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

SU1261 is an IKK inhibitor with K i values of 10 nM and 680 nM for IKKα and IKKβ, respectively. SU1261 can inhibit non-canonical NF-κB signaling in U2OS osteosarcoma cells.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

Molecular Weight

431.49

Application Protocols

This listing does not include validated application protocols or assay conditions for SU1261.

• Tested applications (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Recommended concentrations/dilutions: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (non-item-specific):

• Prepare concentrated stocks in anhydrous DMSO (e.g., 10–50 mM), aliquot, and store frozen to avoid repeated freeze–thaw.
• For cell-based assays, limit final DMSO to ≤0.1–0.5% v/v where possible; always include vehicle controls.
• Validate solubility and absence of precipitation at working concentrations in the chosen assay buffer/medium.

Please consult the CoA/Spec Sheet and adapt to your internal SOPs.

Biological Roles

Item-specific biological targets, pathways, or mechanisms are not provided for SU1261 in this listing.

General context for small-molecule library members:

• Such compounds are used to modulate biochemical pathways in vitro, enabling target validation, tool-compound studies, or phenotypic screening. Any apparent biological role is contingent on structure, concentration, and system context.
• Off-target profiles, metabolic stability, and permeability can vary widely and must be empirically determined for each compound.
• If this compound is used in cells or lysates, document vehicle controls (e.g., DMSO-only) and evaluate concentration–response relationships to distinguish specific activity from nonspecific effects.

Important: No clinical or therapeutic claims apply. This product is supplied strictly for research use only. For definitive information on biological roles or targets of SU1261 (if any), consult the product’s CoA/Spec Sheet or relevant primary literature tied to the exact structure.

Buffer Applications

This product is a small-molecule screening compound and is not a buffering agent. Accordingly, conventional buffer system design (pKa selection, capacity ranges) is not applicable.

Practical assay considerations (general):

• If preparing aqueous working solutions, use a biologically compatible buffer (e.g., PBS, HEPES) and keep organic co-solvent (DMSO/MeCN/EtOH) at the minimum effective percentage.
• Include matched vehicle controls to account for any buffer–compound interactions or solvent effects.

Item-specific buffer compatibility data: Not specified for this item; refer to CoA/Spec Sheet and validate empirically in your assay system.

Green Alternatives

While the compound identity and solubility are not specified, greener handling often centers on solvent choice and waste minimization for screening compounds.

Greener practice suggestions (general):

• Prefer lower-toxicity diluents and minimize DMSO percentage where biologically feasible; consider MeOH or EtOH as intermediate carriers for rapid evaporation, balancing assay tolerance.
• Use aqueous buffers with minimal organic co-solvent where solubility permits; incorporate surfactants or cyclodextrins as greener solubilization aids when compatible with the assay.
• Scale responsibly: prepare only the needed stock concentration and aliquot to reduce freeze–thaw cycles, lowering waste.

Illustrative comparison (general, non-item-specific):

• DMSO vs EtOH: DMSO provides higher solvency but is less biodegradable; EtOH is greener but offers lower solubility for hydrophobic compounds.
• DMF/NMP vs MeCN: DMF/NMP have higher worker exposure concerns; MeCN is more volatile and flammable but often easier to remove and generally lower chronic toxicity concerns. Choose the minimum effective amount.

Note: No item-specific greener alternative exists for a discrete screening compound; the primary levers are solvent selection, micro-scale assay formats, and efficient sample management to reduce chemical and plastic waste.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing use is specified for this product.

• Regulatory/compendial listing: Not specified for this item; refer to CoA/Spec Sheet.
• Intended use: For research use only. Not for human or veterinary use, not for diagnostic procedures, and not for use in foods, drugs, or cosmetics.

General note:

• While small molecules may serve as reference materials or tool compounds in preclinical research, this listing provides no information on GMP status, impurity profiling per ICH, or any suitability for clinical manufacturing.

Physical Properties

Item-specific physicochemical specifications are not listed in the current catalog entry.

• Appearance (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Density (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Solubility profile (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• logP/logD, pKa, refractive index (item-specific): Not specified for this item; refer to CoA/Spec Sheet.

General laboratory guidance (literature/general):

• Screening-library small molecules are commonly provided as solids or DMSO solutions. When supplied as a solid, initial dissolution in anhydrous DMSO to 10–50 mM is typical for assay stock preparation; subsequent dilution into aqueous buffers with co-solvent (e.g., ≤1% DMSO v/v) is routine if compatible with the assay system.
• If hygroscopicity or polymorphism is a concern, determine by DSC/TGA or PXRD prior to long-term use. Actual behavior should be verified experimentally for this specific lot.

Note: All definitive physical property values for SU1261 must be taken from the product’s CoA/Spec Sheet; the above general points are provided as non-item-specific best practices.

Quality & Grades

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

Interpretation and best practices:

• Small-molecule library compounds are typically supplied at research grade with purity assessed by HPLC/UPLC and identity confirmed by MS and/or NMR. Exact acceptance criteria (e.g., ≥95% HPLC area) vary by supplier and product; consult the CoA for SU1261’s lot-specific values.
• UV-Vis background, residual solvents, water content (KF), and salt form (free base/acid vs. salt) can influence assay performance. These parameters, when available, will be listed on the CoA/Spec Sheet; if not specified, consider performing internal QC before critical studies.
• Stabilizers: Not specified for this item; if stabilizers or counterions are present, they will be indicated on the label/CoA. Absence/presence of stabilizer can affect long-term stability and solubility.

Recommendations:

• Verify identity (e.g., LC–MS) and purity (e.g., HPLC) upon receipt if your application is sensitive to impurities or is SAR-critical.
• If the salt form is unspecified, test pH-dependent solubility and consider converting to a defined salt (where appropriate) for reproducibility in screening campaigns.

Reaction & Applications

This product is categorized as a small-molecule library member intended for research screening and is not primarily positioned as a synthetic reagent.

• Synthetic reaction roles: Not typically applicable for this item; no named-reaction utility or catalyst role is indicated in the product data.
• Research usage (general): Suitable for exploratory in vitro assays, biochemical target engagement studies, or phenotypic screens when formulated into appropriate stocks; exact biological targets or pathways for SU1261 are not specified in this listing.

If you plan to use the compound in synthesis (off-label):

• Confirm structure/reactivity from the CoA/Spec Sheet before designing transformations.
• Assess functional-group compatibility and stability under planned reaction conditions via small-scale tests.

For assay-focused applications, please see: Storage & Reconstitution for stock preparation guidance and Application Protocols for any item-verified use notes (not provided in this entry).

Reaction Conditions

No reaction-use information is provided because this product is not positioned as a reaction reagent.

• Item-specific conditions (solvent, temperature, catalysts): Not applicable/not specified for this item; refer to CoA/Spec Sheet if planning off-label synthetic use.

General note:

• If employing the compound in chemical reactions for probe development, determine its stability profile by small-scale tests under your intended conditions (e.g., base/acid sensitivity, redox behavior).

Safety & Handling

Hazard classification information is not provided in this catalog record for SU1261.

• GHS signal word/pictograms (item-specific): Not specified for this item; refer to SDS.
• GHS hazard statements (item-specific): Not specified for this item; refer to SDS.

General laboratory precautions (best practice; defer to SDS):

• PPE: Use lab coat, safety glasses, and suitable gloves (e.g., nitrile). Avoid inhalation of dust/aerosols and contact with skin/eyes. Handle powders in a fume hood.
• Incompatibilities: Unknown for this item. As a precaution, segregate from strong oxidizers and acids/bases until specific compatibility is confirmed from SDS/CoA.
• First aid (general):
  • Skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing; seek medical attention if irritation persists.
  • Inhalation: Move to fresh air; seek medical attention if symptoms occur.
  • Ingestion: Rinse mouth; do not induce vomiting unless directed by medical personnel.
• Spill response: Avoid dust generation; contain and collect with inert absorbent; dispose according to institutional and local regulations.
• Waste disposal: Treat as organic laboratory chemical waste; follow local regulations and institutional guidelines.

Authoritative safety data, exposure limits, and transport information must be taken from the product’s SDS for the specific lot.

Solvent Selection

Item-specific solubility and polarity are not provided. The following guidelines reflect common practice for small-molecule screening compounds.

• Primary stock solvent (general):
  • DMSO (anhydrous) is the default due to broad solvating power and assay compatibility at ≤0.1–1% v/v in many systems.
• Secondary/alternative solvents (general):
  • DMF or NMP for difficult-to-dissolve solids (evaluate assay toxicity profile).
  • Volatile co-solvents (MeCN, MeOH, EtOH) for preparing intermediate concentrates prior to aqueous dilution.
  • Aqueous vehicles with co-solvent and surfactant (e.g., 0.5–2% DMSO + 0.01% Tween-80) may aid dispersion for high-throughput screens.
• Dielectric/polarity class (unknown item-specific): Not specified for this item; refer to CoA/Spec Sheet.

Comparison (general considerations):

• DMSO vs MeCN: DMSO offers higher solvency but can affect some enzyme assays; MeCN is more volatile and often less tolerated above ~1–2%.
• DMSO vs DMF/NMP: DMF/NMP can enhance solubility for very lipophilic compounds yet may be less biocompatible.

Practical tips:

• Warm gently (≤40 °C) and vortex/sonicate to aid dissolution; avoid prolonged heating.
• Filter 0.2 µm to remove particulates if required by assay.
• Document final vehicle composition in screening data to ensure reproducibility.

Storage & Reconstitution

• Storage conditions (item-specific): Store at −20 °C.
• Shipping (item-specific): Shipped on ice (ice chest + ice pads).
• Appearance and stabilizers (item-specific): Not specified for this item; refer to CoA/Spec Sheet.

General reconstitution guidance (non-item-specific, for screening compounds):

• Stock preparation: Dissolve in anhydrous DMSO to prepare concentrated stocks (commonly 10–50 mM). Vortex and, if needed, warm gently (≤40 °C) or sonicate to assist dissolution.
• Aliquoting: Dispense single-use aliquots in inert vials/plates to minimize headspace and freeze–thaw cycles. Protect from light if the structure suggests photosensitivity; confirm from CoA.
• Working solutions: Dilute into assay buffer or medium immediately before use; verify that final organic co-solvent remains within assay tolerance and that solutions remain clear (no visible precipitate) throughout the assay window.
• Stability: Item-specific shelf life and solution stability are not specified; refer to CoA/Spec Sheet. If absent, establish internal stability by LC–MS/HPLC after storage at intended conditions.

Always defer to the product label and CoA/Spec Sheet for lot-specific storage and handling instructions.

Structure & Identity

This listing corresponds to a small-molecule library compound designated “SU1261” (SKU: S1447733) in the Small Molecules & Compound Libraries category.

• Chemical identity fields (item-specific):

  • CAS: 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: Not specified for this item; refer to CoA/Spec Sheet.
  • InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
  • Synonyms: Not specified for this item; refer to CoA/Spec Sheet.

• Structural features (general guidance):

  • As a screening-library small molecule, SU1261 is expected to be an organic compound suitable for dissolution in polar aprotic solvents (e.g., DMSO) for biochemical or cell-based assays. Exact functional groups, ring systems, and stereochemical elements are not provided in this catalog record.

• 2D description (general):

  • Without a provided structure, a definitive 2D/functional-group description cannot be given. Please consult the product’s CoA/Spec Sheet for the definitive structural representation used to generate identifiers and for any stereochemical annotations.

Synthetic Utility

As listed, SU1261 is provided as a small-molecule library compound for screening rather than as a synthetic building block or reagent.

• Functional-group reactivity: Not specified for this item; refer to CoA/Spec Sheet for any structural insights before considering derivatization.
• Typical transformations: Without the structure, no recommendations on coupling, protection, or chemoselective modifications can be made.

If derivatization is desired (general guidance):

• Obtain the exact structure and assess positions amenable to substitution or tagging (e.g., for biotinylation or photoaffinity probes).
• Verify stability against hydrolysis/oxidation and under common coupling conditions (amide formation, cross-couplings) using micro-scale scouting experiments.

Bottom line: Treat this product primarily as a screening tool compound; only pursue synthetic modification after confirming identity/structure from the CoA/Spec Sheet.

Target Specificity

Target, pathway, or protein-binding specificity is not provided in this catalog entry for SU1261.

• Verified targets (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Selectivity data (Ki, IC50, on/off-target panels): Not specified for this item; refer to CoA/Spec Sheet.

Recommendation:

• If used as a putative modulator, independently confirm activity and selectivity in your assay system with appropriate positive/negative controls and orthogonal readouts. Cite the exact structure/lot in all reports to ensure reproducibility.