SJF-0661 , CAS No.2413035-43-3

CAS: 2413035-43-3 Cat. No.: S1449663 Formule: C₅₁H₅₇F₂N₉O₇S₂ Poids moléculaire: 1010.18

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

SJF-0661 is a variant of the von Hippel-Lindau (VHL) protein ligand with no targeted degradation ability and can be used as a control reagent for the VHL ubiquitin ligase ligand. SJF-0661 is a variant obtained by inverting the stereocenter of the key hydroxyproline group in the VHL ligand.

Specifications

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Noms et identifiants

Poids moléculaire

1010.18

Application Protocols

No vendor-validated application protocols are provided for SJF-0661 in the product data.

General handling protocol for small molecules in screening assays

• Stock preparation: Dissolve in anhydrous DMSO to a convenient concentration (e.g., 10 mM), vortex and sonicate briefly. Filter through a 0.22 µm PTFE filter if particulate remains.
• Aliquoting: Dispense single-use aliquots (e.g., 10–50 µL) into inert, low-bind vials or plates to avoid freeze–thaw.
• Dilution: Add stock to assay buffer/media to reach the desired final concentration, keeping DMSO constant across wells/samples (commonly 0.1–1% v/v). Mix thoroughly to avoid local supersaturation.
• Stability: Minimize room-temperature exposure; keep plates on ice or at 4 °C during setup if compatible with the assay. Discard solutions showing precipitation or discoloration.

For analytical QC (general)

• Verify purity by LC-MS/UPLC before use in critical experiments and re-check after storage to detect degradation.

Note: Adjust details to your specific assay format (biochemical, cell-based, biophysical) and institutional SOPs.

Biological Roles

Item-specific biological roles, targets, and pathways for SJF-0661 are not provided in the product data. No claims are made regarding mechanism of action or bioactivity.

General guidance for using small molecules as research tools

• Treat SJF-0661 as a test article for in vitro or ex vivo research only. Establish concentration–response relationships empirically and include appropriate vehicle controls.
• Profiling suggestions: If target information becomes available, consider orthogonal assay formats (biochemical vs. cellular), counterscreens for selectivity, and time-dependent activity to assess covalency or slow binding.
• ADME/stability screening (general):
  • Solubility in assay media and kinetic solubility via nephelometry.
  • Chemical stability in DMSO and relevant buffers (pH 2–9), and in microsomal stability if required for discovery research.
  • Permeability (PAMPA/MDCK) and protein binding can contextualize observed cellular potency.
• Off-target risk management: Run nuisance assays (e.g., redox cycling, aggregation via detergent sensitivity, fluorescence interference) if the compound is to be used as a probe.

Note

• No medical or clinical use is intended or implied. For any target-specific information, consult the CoA/Spec Sheet or associated literature matched to the CAS number 2413035-43-3.

Buffer Applications

This item is a small-molecule research compound, not a buffering reagent. Therefore, classical buffer system guidance (pKa, buffering range, recipe) is not applicable.

Practical notes for assay buffers (general)

• Prepare compound stocks in DMSO (or other suitable solvent) and dilute into pre-warmed assay buffer to limit precipitation. Keep final organic co-solvent percentage low and consistent across controls and treated samples (commonly 0.1–1% v/v DMSO).
• If precipitation occurs upon dilution, consider:
  • Adding co-solvents compatible with the assay (e.g., 0.5–2% DMSO, small amounts of ethanol or PEG400).
  • Using surfactants such as 0.01–0.05% Tween 80 or Pluronic F-68 when permitted.
• Filter-sterilize solutions intended for cell-based assays through 0.22 µm PES/PTFE filters when solvent-compatible.

Green Alternatives

Because the structure and functional class of SJF-0661 are not provided, green chemistry substitutions can only be addressed generally for solvent and process choices when handling this compound as a research test article.

General greener practice suggestions

• Stock solutions: Prefer anhydrous ethanol or water/ethanol mixtures when compatible with solubility and assay tolerances, in place of high-boiling dipolar aprotics (DMF/NMP). DMSO remains common but consider minimizing its percentage in assays.
• Workup and purification: Use ethyl acetate/heptane rather than dichloromethane/hexanes where chromatographically feasible. For crystallizations, consider EtOAc, IPA, or acetone as greener options.
• Analytical: Favor ACN/water or MeOH/water gradients; avoid chlorinated eluents unless required for resolution.
• Energy: Dissolve with mild warming and sonication instead of prolonged refluxing; store in aliquots to avoid repeated freeze–thaw, thus reducing waste.

Illustrative comparison (general)

• DMF or NMP (problematic reproductive toxins) vs. alternatives: DMSO, propylene carbonate, Cyrene, or 2-MeTHF (if structure allows and purpose is synthetic processing).

Caveat

• Always balance green choices against analytical or biological assay constraints and the compound’s actual solubility/stability, which must be determined experimentally for this item.

Pharmaceutical Uses

No pharmaceutical or clinical use is claimed for SJF-0661. It is provided strictly for research use only.

General formulation context for research compounds

• Excipient roles: Not applicable; this item is not designated as an excipient.
• Preclinical formulation screening (research setting): Typical vehicles include aqueous buffers containing low levels of DMSO, ethanol/PEG400 mixtures, or cyclodextrin complexes to enhance apparent solubility for in vivo discovery studies. Any such use must be supported by internal validation and is outside the scope of the catalog specification.
• Pharmacopeial status: No Ph. Eur./USP monograph is indicated for this catalog item.

Important notes

• Do not use in humans or for diagnostic purposes. All handling should comply with institutional and regulatory requirements for non-clinical research chemicals.

Physical Properties

Item-specific properties

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point: Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point: Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable/unknown (likely a solid; verify on CoA).
• Aqueous solubility: Not specified for this item; refer to CoA/Spec Sheet.
• Organic solubility: 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 for small-molecule library compounds (literature/general)

• Many screening compounds are supplied as off-white to pale solid powders and are commonly dissolved in DMSO to prepare 10–50 mM stocks; actual solubility must be verified experimentally for this item.
• If solubility is limited, co-solvent systems such as DMSO:water, DMSO:ethanol, DMSO:PEG400, or DMSO:cyclodextrin can be screened. Gentle heating (≤40 °C) and sonication may assist dissolution.
• For hygroscopic or amorphous materials, moisture uptake can depress observed melting behavior; handle rapidly in a dry atmosphere and use DSC/TGA if exact thermal data are required.

Quality and Grades

Item-specific grade/purity

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

Guidance on interpreting common grades (general)

• Research grade: Suitable for discovery and screening; may not include trace-metal or elemental impurity limits unless stated.
• HPLC grade (solvents) / LC-MS grade: Defined low non-volatile residue and UV background; not applicable here unless explicitly stated.
• Bioactive screening compounds: Often provided at ≥95% purity by HPLC/UPLC with NMR/MS identity confirmation; verify the actual specifications for this catalog item on the CoA.

What to check on the CoA/Spec Sheet for this item

• Purity method and value (e.g., HPLC area %, qNMR).
• Identity confirmation (HRMS, 1H/13C NMR, melting point, elemental analysis as applicable).
• Residual solvents and water content (Karl Fischer) if provided.
• Counter-ions/salt form and stoichiometry, if relevant.
• Batch-to-batch consistency and retest/expiry date.

Stabilizers and additives

• None are listed in the product data. If stabilizers or formulating excipients are used, they will be declared on the CoA/Spec Sheet.

Reaction and Applications

This product is listed under small-molecule/compound libraries and is intended primarily as a research tool or screening compound rather than as a synthetic reagent.

Accordingly, typical reagent-style reaction applications (e.g., use as a catalyst, coupling partner, base, or solvent) are not applicable without knowledge of the specific functional groups.

If you intend to derivatize or conjugate this molecule

• Obtain the structure (SMILES/SDF) to identify modifiable handles (e.g., phenols, anilines, carboxylates, primary amines, halides).
• Confirm functional-group presence by spectroscopic methods (1H/13C NMR, IR, HRMS) before planning transformations.
• Common late-stage diversification tactics (general):
  • N-acylation/sulfonylation of amines, O-alkylation/acylation of phenols/alcohols.
  • Cross-couplings (Suzuki, Buchwald–Hartwig) if aryl halides/boronates are present.
  • Amide coupling (HATU/EDC) if COOH/NH2 partners exist.

Applications as a test article (general)

• Chemical biology and screening assays: Prepare defined-concentration DMSO stocks, validate assay compatibility, and include solvent controls.
• Analytical: Use LC-MS or UPLC-UV for purity, stability, and metabolite profiling under your specific conditions.

Note: Without item-specific structural information, no specific reaction families or named-reaction suitability can be asserted.

Reaction Conditions

No item-specific reaction conditions can be recommended without the compound’s structure and functional group information.

General guidance if SJF-0661 is to be used in chemical transformations after structure confirmation

• Solvents: Choose based on solubility and reaction class (e.g., DMF/DMSO/NMP for polar couplings; MeCN/THF/2-MeTHF for organometallic or cross-coupling; toluene/anisole for high-temperature operations).
• Temperatures: Most coupling reactions proceed between 0–100 °C; employ inert atmosphere (N2/Ar) when moisture/oxygen sensitive reagents are involved.
• Catalysts/bases: Select according to functional groups (e.g., Pd(0/II) for cross-couplings; HATU/EDC with tertiary amine base for amidations).
• Workup: Quench under controlled conditions, extract with greener solvents when possible (EtOAc/MTBE), and purify by flash chromatography or crystallization.
• Stability checks: Perform small-scale trials to assess chemical stability to acid/base, oxidants, and heat before scale-up.

Note: All figures above are general literature practices; no specific yields or conditions are asserted for this item.

Safety and Handling

Hazard information (item-specific)

• GHS classification: Not specified for this item; refer to SDS.
• Signal word: Not specified for this item; refer to SDS.
• Hazard statements (H-phrases): Not specified for this item; refer to SDS.
• Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (best practice)

• Handle in a chemical fume hood with appropriate PPE: lab coat, safety glasses, and chemical-resistant gloves (nitrile as default). Avoid inhalation of dusts/aerosols and direct contact with skin/eyes.
• Avoid incompatible materials until known; as a precaution keep away from strong oxidizers and strong acids/bases unless confirmed compatible.
• In case of skin/eye contact, rinse with plenty of water for at least 15 minutes and seek medical attention as needed. If inhaled, move to fresh air; if ingested, rinse mouth and seek medical advice. Always defer to the SDS for authoritative first-aid.

Additional considerations

• Unknown peroxide risk, flammability, or sensitization potential: treat as a general organic research chemical.
• Avoid repeated freeze–thaw of stock solutions; prepare aliquots to minimize handling and potential degradation.
• Dispose of waste according to institutional hazardous chemical procedures.

Solvent Selection

Item-specific solubility is not provided; therefore, select solvents empirically using a tiered approach typical for small organic research compounds.

Recommended screening sequence (general guidance)

• Primary solvent: DMSO. Start with 10–50 mM stocks. If insoluble at 50 mM, titrate down and warm gently (≤40 °C) with sonication.
• Secondary co-solvents: DMF or NMP for difficult, highly aromatic, or polar heterocyclic compounds; dilute into assay buffer immediately before use.
• Volatile organics for processing: Acetonitrile, methanol, ethanol, or isopropanol may be used for HPLC preparation or recrystallization trials, subject to actual solubility.
• Aqueous work: Use aqueous vehicles with solubilizers (0.5–2% DMSO, 10–30% PEG400, 1–10% Tween 80/Poloxamer) as allowed by your assay system.

Polarity and miscibility (general)

• DMSO, DMF, NMP: highly polar, fully miscible with water and most organics; excellent for stock solutions.
• ACN/MeOH/EtOH: polar protic/aprotic, water-miscible; good for analytical dilutions.

Practical tips

• Filter stock solutions (0.22 µm PTFE) to remove particulates prior to biological assays.
• Record exact solvent, concentration, and lot for data reproducibility.
• For long-term storage of solutions, prefer anhydrous DMSO in sealed, inerted vials; verify stability experimentally for this item.

Storage and Reconstitution

Item-specific storage and shipping

• Storage conditions: Store at -20 °C (as provided in the product data).
• Shipped in: Ice chest + ice pads (cold chain).

General best practices for small-molecule research compounds

• Solid form: Store tightly capped in original container, under dry, inert atmosphere (desiccant), and protected from light if photosensitive. Allow vial to warm to room temperature before opening to prevent moisture condensation.
• Solution stocks: Prepare in anhydrous DMSO (typical 10–50 mM), aliquot into low-bind, airtight vials, and store at -20 °C or -80 °C. Avoid repeated freeze–thaw; use single-use aliquots.
• Reconstitution: Add solvent incrementally with gentle vortexing and brief sonication. If solubility is challenging, consider co-solvents (DMF, ethanol) or warming to ≤40 °C. Document the final concentration and solvent system.
• Stability monitoring: Periodically assess by LC-MS/UPLC for degradation; discard if significant impurities or precipitation develop.

Unspecified parameters

• Appearance, purity, stabilizers, and exact solubility are not specified for this item; refer to the CoA/Spec Sheet and SDS for definitive guidance.

Structure and Identity

• Product name: SJF-0661 (SKU: S1449663)
• CAS: 2413035-43-3
• Category: Small molecules and compound libraries (research use only)

Item-specific identifiers

• 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.

Structural features (general notes)

• Structural class and functional groups are not disclosed in the provided data. Without a structure, exact ring systems, heteroatoms, and stereochemistry cannot be stated.
• If you have an internal structure file (SDF/MOL/SMI), we recommend confirming identity by high-resolution MS and 1H/13C NMR and cross-referencing against the CAS registry number.

2D structure description

• Not available from the provided data. For accurate depiction, request the structure drawing from the CoA/Spec Sheet or recreate from SMILES if available.

Synthetic Utility

SJF-0661 is listed as a small-molecule library compound rather than a reagent or building block. Without structural disclosure, specific synthetic utilities cannot be assigned.

If derivatization is desired (general strategy)

• Obtain the structure (from CoA/Spec Sheet) and map functional handles. Verify by 1H/13C NMR, HRMS, and, if needed, 2D NMR.
• Potential late-stage modifications (contingent on functional groups):
  • Amide couplings (HATU/EDC/DIC) if a carboxylic acid is present.
  • Reductive amination or alkylation if anilines or aliphatic amines exist.
  • Cross-coupling (Suzuki–Miyaura, Buchwald–Hartwig, Sonogashira) if aryl/alkenyl halides or boronates are available.
  • Heterocycle N-oxides reduction or halogen–metal exchange where appropriate.

Analytical support

• Use LC-MS and UPLC-UV to track reaction progress and purity. Consider qNMR for absolute purity when no chromophore is present.

Caveat

• Do not infer reactivity or safety from analogous “SJF-” named compounds; naming conventions are not standardized across vendors. Rely solely on the specific structural data for this CAS number.

Target Specificity

Target, enzyme, receptor, or pathway specificity for SJF-0661 is not provided in the product data. No claims are made regarding its selectivity, potency, or mechanism of action.

If you acquire target information (general guidance)

• Validate with orthogonal assays (e.g., biochemical IC50 vs. cellular EC50) and confirm on-target effects using genetic controls (knockdown/knockout or rescue experiments).
• Assess selectivity against close homologs or panel screens to profile off-target activity.
• Document exact lot, solvent, and concentration to ensure reproducibility of any biological findings.

Foire aux questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 2413035-43-3, the molecular formula is C51H57F2N9O7S2, and the molecular weight is 1010.18 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.