142I5 , CAS No.2865171-75-9

CAS: 2865171-75-9 Cat. No.: I1416876 Formula: C₂₉H₃₆FN₅O₇S Molecular Weight: 617.69

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

142I5 is a potent ML-IAP Lys-covalent inhibitor with an IC 50 value of 11 nM.

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.

Action Type

ANTAGONIST

Names and Identifiers

• Molecular Weight: 617.69

Application Protocols

No tested applications or protocols are provided in the product data for 142I5. Recommended dilutions, assay types (e.g., WB, IHC, IF, enzymatic assays), plate formats, or positive controls are Not specified for this item; refer to CoA/Spec Sheet if made available.

Please develop and validate protocols internally according to your assay platform and institutional SOPs.

Biological Roles

• No biological function, target, or pathway information is provided for 142I5. As listed, it is a research-use screening small molecule without assigned biological role.

General guidance for screening compounds (non-item-specific)

• In discovery workflows, such compounds may serve as putative chemical probes or hits pending validation. Any observed bioactivity requires orthogonal confirmation, dose–response profiling, and artifact exclusion (e.g., fluorescence interference, redox cycling, aggregation).
• Avoid inferring mechanism-of-action without structure and target engagement data (e.g., CETSA, SPR, ITC, enzymology kinetics). Use appropriate controls to deconvolute nonspecific effects.

Compliance note

• Research Use Only (RUO): Not for diagnostic, therapeutic, or in vivo use. Do not attribute clinical or pharmacological properties to this item without rigorous evidence and approvals.

Buffer Applications

This listing is a small-molecule library compound rather than a buffering reagent. No buffer system parameters (pKa, buffering range) are provided or implied.

• If the compound must be used in aqueous buffers for assays, select buffer systems based on the assay biology (e.g., HEPES, PBS, Tris) and the compound’s ionization profile (unknown here). Keep organic cosolvent (e.g., DMSO) low to maintain buffer capacity and biological compatibility.
• Verify that the compound does not precipitate or adsorb to plastics at the working buffer composition; adjust ionic strength, surfactant (e.g., 0.01–0.05% Tween-20), or temperature as assay-appropriate.

Item-specific buffering information: Not specified for this item; refer to CoA/Spec Sheet if subsequently provided.

Green Alternatives

Because the structure and solubility of 142I5 are not disclosed, selection of greener options must be guided by small-scale tests. The points below are general, not item-specific.

• Stock-solution solvent choices
  • Prefer DMSO over DMF/NMP when possible due to lower toxicity concerns and better assay compatibility; still handle DMSO responsibly.
  • For volatile options, ethanol or isopropanol can sometimes replace acetonitrile or methanol for intermediate dilutions if assay-tolerated.
• Aqueous systems
  • If the compound is sufficiently soluble, buffered aqueous media reduce organic solvent use. Employ minimal DMSO cosolvent (≤0.1–0.5% v/v) where feasible.
• Process considerations
  • Use microscale dissolution trials to minimize waste.
  • Opt for polypropylene plates/tubes compatible with greener solvents to avoid leachables.

Trade-offs (general)

• Greener solvents may reduce solubility or stability; verify by LC/UV or LC/MS after dissolution. Lower volatility (e.g., DMSO vs ACN) can complicate drying but enhances handling safety.

Summary

• Start with DMSO; if toxicity or disposal is a concern and solubility allows, screen ethanol/water systems. Document solvent choices in your ELN for reproducibility and EHS review.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation use is provided for 142I5. This product is supplied strictly for research use only (RUO) as part of a small-molecule/compound library.

General notes (non-item-specific)

• RUO screening compounds are not manufactured under GMP and are not intended for human or veterinary use, clinical diagnostics, or as active pharmaceutical ingredients (APIs) or excipients.
• If formulation-like studies are performed in research (e.g., solubility enhancement screens), treat outcomes as preliminary and non-clinical. Any transition toward regulated use would require full identity disclosure, impurity profiling, stability programs, and GMP-grade resupply.

Item-specific regulatory details: Not specified for this item; refer to CoA and SDS for available quality documentation.

Physical Properties

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

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point / 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 profile (water/organic): Not specified for this item; refer to CoA/Spec Sheet.
• logP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/practice; not item-specific)

• Screening collection compounds are commonly supplied as dry solids or as DMSO stock solutions and are often soluble in polar aprotic media (e.g., DMSO) at 10–50 mM for primary screening. Always verify solubility for this specific item before assay use.
• If solid, establish a small solubility screen (e.g., DMSO, DMF, MeOH, PBS with 1–2% DMSO cosolvent) at microliter scale to avoid material loss.
• Hygroscopicity or polymorphism can affect apparent solubility; confirm by visual inspection and, if needed, LC/UV or LC/MS to ensure full dissolution and chemical integrity.

Please defer to the SDS and CoA for definitive physicochemical specifications once released for your lot.

Quality and Grades

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

Context for screening compounds

• Library/screening-grade small molecules are typically quality controlled by identity (LC/MS and/or NMR) and purity by LC/UV at a defined wavelength range. Specific acceptance criteria (e.g., ≥95% by HPLC) vary by collection; confirm on the CoA for this SKU/lot.
• Residual solvent, water content (e.g., Karl Fischer), and salt form/stoichiometry may be provided on the Spec Sheet when relevant. For this listing, such details are Not specified for this item; refer to CoA/Spec Sheet.

Implications for use

• If using in biochemical or cell-based assays, ensure the purity level meets your assay’s sensitivity requirements. Consider re-purification or fresh stock preparation if baseline noise or off-target absorbance/fluorescence is observed.
• If the item is supplied as a salt or solvated form, calculate molarity based on the exact formula weight indicated on the CoA for your specific lot.

Documentation

• For auditability, archive the CoA, SDS, and shipment temperature logs with your ELN/LIMS entry for SKU I1416876 (142I5). Contact Aladdin Scientific if you require additional QC documentation (chromatograms, spectra) for method validation.

Reaction and Applications

This product is cataloged as a screening-library small molecule. No manufacturer reaction guidance or synthetic application is provided for this specific item.

Practical use cases (general, non-item-specific)

• Primary/secondary screening: Preparation of concentrated DMSO stocks (e.g., 10–50 mM) for HTS, fragment or diversity screening, phenotypic assays, or target-based biochemical assays.
• Orthogonal assays: If a hit is observed, confirm activity across counterscreens to rule out assay interference (fluorescence quenchers, redox cyclers, aggregators). Employ detergent controls, dynamic light scattering (DLS), and redox/PAINS filters as appropriate.
• Analytical characterization: For hit confirmation, acquire fresh LC/MS and, if feasible, 1H NMR to exclude decomposition or salt/solvate misassignment.

Notes

• No specific named-reaction roles or reagent functions can be assigned without structure disclosure. If you intend to use this material synthetically (e.g., as a reference standard or derivatization precursor), request the structural information and impurity profile from Aladdin Scientific under appropriate confidentiality.

Reaction Conditions

No reaction or transformation guidance is provided for this item, and the chemical structure is undisclosed. Accordingly, standard conditions (solvents, catalysts, temperatures) cannot be recommended for this specific compound.

General note (non-item-specific)

• If you intend to modify this compound in a research setting (e.g., prodrug or probe derivatization), first obtain structural data and assess functional-group compatibility via a small literature survey. Establish analytical methods (LC/MS, NMR) before and after reaction to ensure mass balance and purity.

For assay use, see Solvent Selection for general dissolution guidance rather than synthetic reaction conditions.

Safety and Handling

Hazard data

• Signal word (GHS), hazard statements, pictograms, classification: Not specified for this item; refer to SDS.

Storage and shipping (from Product Data)

• Storage: Store at −20 °C.
• Shipped: On ice (ice chest + ice pads) to help maintain a cool chain.

General laboratory precautions (for small-molecule research compounds; defer to SDS for authoritative guidance)

• PPE: Lab coat, safety glasses, and appropriate chemically resistant gloves. Handle powders/solutions in a fume hood to avoid inhalation and aerosol exposure.
• Avoid contact with skin and eyes; prevent ingestion and inhalation. Wash thoroughly after handling.
• Incompatibilities: Unknown for this specific item. As a precaution, segregate from strong oxidizers and acids/bases until compatibility is known.
• Environmental precautions: Prevent release to drains; collect waste in labeled containers compliant with your institutional hazardous waste procedures.
• First aid (generic): If on skin/eyes—rinse with water for several minutes; remove contaminated clothing. If inhaled—move to fresh air. If ingested—rinse mouth. Seek medical attention as needed and provide the SDS to responders.

Always consult the SDS for the exact lot you receive for definitive hazard and response information.

Solvent Selection

Item-specific solubility has not been disclosed. The following are general, non-item-specific practices for small-molecule screening compounds.

• Primary solvent for stock solutions: DMSO is the most common due to broad solubilizing power and assay compatibility at ≤0.1–1% v/v in many biochemical and cell assays.
• Secondary solvents for troubleshooting: DMF, acetonitrile, methanol, ethanol. Cosolvent strategies (e.g., 10–20% DMSO in aqueous buffers) can aid plate-ready dilutions.
• Aqueous use: If water solubility is required, test buffered saline (e.g., PBS, HEPES) with minimal DMSO. Adjust pH only if the ionization state is known from the CoA or analytical characterization.
• Filtration: If particulates persist, use 0.22–0.45 µm PTFE or nylon filters compatible with the chosen solvent. Avoid PVDF with strong aprotics when adsorption is problematic.

Comparison (general)

• DMSO vs methanol: DMSO provides higher solubility for many heteroaromatics; methanol offers lower viscosity and simpler evaporation. Choose based on assay tolerance and compound behavior.
• ACN vs DMF: ACN is more volatile and MS-friendly; DMF offers stronger solvation for polar/planar scaffolds but is less volatile and may be less cell-friendly.

Always verify solvent compatibility with your assay and plastics (tips, plates, seals).

Storage and Reconstitution

Storage (from Product Data)

• Store at −20 °C. Maintain the cold chain during receipt (shipped in ice chest with ice pads). Avoid repeated freeze–thaw of solutions.

Item-specific formulation details (salt form, counterion, stabilizers, water content): Not specified for this item; refer to CoA/Spec Sheet.

General guidance (non-item-specific; verify for your lot before use)

• If supplied as a solid: Allow vial to equilibrate to room temperature in a desiccator before opening to minimize moisture condensation. Prepare a concentrated stock in an appropriate solvent (commonly DMSO), then aliquot into low-bind tubes, flush with inert gas if air/moisture sensitivity is suspected, and store at −20 °C.
• If supplied as a solution: Keep tightly capped; store at −20 °C. Prepare single-use aliquots to avoid potency drift.
• Stability checks: Periodically confirm integrity by LC/UV or LC/MS after storage. Record freeze–thaw cycles and avoid more than 2–3 cycles where possible.

Research Use Only: For laboratory research use; not for human or veterinary use.

Structure and Identity

• Product name: 142I5 (SKU: I1416876)
• CAS: 2865171-75-9
• Category: Small-molecule library compound (screening collection)
• 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

• Item-specific structural features (functional groups, ring systems, stereochemistry): Not provided in the product data.
• Without a disclosed structure, cheminformatic identifiers (SMILES, InChI) and 2D/3D features cannot be summarized. Please consult the Certificate of Analysis (CoA) or request the structure sheet when available under your screening agreement.

Notes for users

• For library compounds, identifiers may be intentionally masked to support blind screening. If you require exact identity for hit-follow-up, contact Aladdin Scientific with your PO/lot number for disclosure options under CDA/MTA.
• Ensure consistent internal tracking by mapping the SKU and CAS to your ELN/LIMS so plate maps and screening results remain traceable.

Synthetic Utility

No structural information is disclosed for 142I5; therefore, specific synthetic transformations or named-reaction participation cannot be assigned for this item.

General considerations (non-item-specific)

• Library compounds, if structurally disclosed, may serve as reference standards, internal standards, or intermediates for SAR elaboration. In such cases, confirm structure by NMR and HRMS and verify salt/solvate form before planning derivatizations.
• If the scaffold contains common handles (e.g., aryl halides, boronates, carboxylic acids, amines), typical transformations include cross-couplings (Suzuki–Miyaura, Buchwald–Hartwig), amide couplings, or N-alkylations. However, none can be presumed here without the actual structure.

Actionable next step

• Request the structural dossier or route-of-synthesis summary under CDA to evaluate any potential synthetic repurposing of this SKU.

Target Specificity

• Target/epitope/biological specificity: Not specified for this item; no target data are provided.
• Species selectivity, binding constants, or mode-of-action: Not specified for this item; refer to CoA/Spec Sheet or contact Aladdin Scientific if available under CDA.

Note

• As a library compound, 142I5 may be used in unbiased screening where target specificity, if any, is discovered experimentally. Do not assign specificity without supporting data.