SQ 32056 , CAS No.139113-49-8

CAS: 139113-49-8 Cat. No.: S1441469 Summenformel: C₃₇H₅₆N₄O₅ Molekulargewicht: 636.86

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

SQ 32056 is a cathepsin E inhibitor. SQ 32056 can block the pressor response to endothelin.

Specifications

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Molekulargewicht: 636.86

Application Protocols

No validated application protocols are provided in the current product data for SQ 32056.

General protocol framework for deploying a small-molecule test article in assays:

• Stock preparation:
  • Thaw the vial to ambient in a desiccated environment.
  • Prepare a concentrated stock (e.g., 10–20 mM) in anhydrous DMSO; vortex and sonicate if needed.
  • Aliquot into low-bind microtubes to minimize freeze–thaw cycles; store at -20°C or below.
• Working solution preparation:
  • Dilute the DMSO stock into pre-warmed assay buffer or media with vigorous mixing to achieve the desired final concentration and ≤0.5–1% DMSO.
  • Inspect for precipitation; if present, reduce concentration or increase co-solvent fraction within assay limits.
• Quality control:
  • Verify concentration by LC-UV or LC-MS when possible.
  • Check for stability over the assay time course by analytical sampling.

Item-specific dilutions, positive controls, and endpoints: Not specified for this item; refer to your assay SOPs.

Biological Roles

No biological target, pathway, or mode-of-action information is provided for SQ 32056 in the current product data. Therefore, no item-specific biological roles can be assigned.

General guidance for unannotated screening compounds:

• Treat as a chemical entity for hypothesis generation. If activity is observed in a screen, follow-up with orthogonal assays to confirm target engagement and exclude assay artifacts (e.g., fluorescence interference, redox cycling, aggregation).
• Early triage: Assess basic physicochemical liabilities (PAINS/aggregators) once the structure is known. Use detergent tests, dynamic light scattering, or counterscreens to de-risk nonspecific mechanisms.
• ADME profiling (research use): Determine solubility, stability in assay buffers, microsomal stability, and permeability (e.g., PAMPA/MDCK) if downstream biology requires it.

Important note:

• This product is supplied strictly for research use only. No medical, diagnostic, or clinical applications are implied or permitted. Any biological insights derived should be corroborated with appropriate controls and secondary confirmatory methods.

Buffer Applications

This product is a small-molecule test article, not a buffering agent. As such, it does not define buffer capacity or buffering ranges.

Practical notes for use in buffered systems (general):

• Prepare concentrated stock in DMSO or a suitable co-solvent, then dilute into assay buffer (e.g., PBS, HEPES, or Tris) with vigorous mixing to avoid local supersaturation.
• If precipitation occurs on dilution, consider: lowering final concentration, increasing temperature slightly, adding a small amount of compatible co-solvent (≤1% DMSO or ethanol), or adjusting buffer pH if the compound is ionizable.
• Filter final working solutions through 0.2 µm PTFE or PES filters when compatible to remove particulates.

Item-specific buffer data (pKa, aqueous solubility, stability): Not specified for this item; refer to CoA/Spec Sheet.

Green Alternatives

Green chemistry considerations are generally applied to the choice of solvents, reagents, and processes surrounding a small-molecule test article. For SQ 32056, solvent and process choices can be optimized even though the compound’s structure is not provided.

• Stock preparation: Prefer lower-toxicity, higher-boiling, and recyclable solvents where assay-compatible (e.g., ethanol) in place of DMSO, recognizing potential solubility tradeoffs.
• Workflows: Minimize solvent volumes, adopt microscale assays, and use 96/384-well plate formats to reduce waste.
• Purification and analytics: If repurification is needed, consider greener eluents (ethyl acetate/heptane, alcohols) and supercritical CO2 for preparative work where feasible.

Illustrative comparison (general):

• DMSO (benchmark): Excellent solvency and stability; not classed as particularly hazardous but can facilitate dermal absorption of solutes; challenging to remove from aqueous waste streams.
• Ethanol (greener co-solvent): Renewable routes available, low toxicity, readily biodegradable; limited solvency for highly lipophilic scaffolds; assay compatibility depends on final % v/v.
• 2-Propanol: Moderate solvency, relatively low hazard, fast evaporation; may impact certain enzyme/cell assays at lower tolerances than DMSO.

Practical steps:

• Validate the minimum effective co-solvent fraction that maintains full solubilization without precipitation during the assay window.
• Consolidate shipments, select ambient-stable formats where possible, and maintain cold chain only as required (this item: store at -20°C per Product Data).

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing use is provided for SQ 32056. This product is sold exclusively for research use and is not intended for human or veterinary applications.

General considerations for research-stage small molecules (non-clinical):

• Formulation screening (research only): If in vivo exploratory studies are contemplated by qualified laboratories, determine tolerated vehicles empirically (e.g., aqueous buffers with co-solvents/surfactants). Any such use must comply with institutional and regulatory requirements; Aladdin provides the compound for research use only.
• Reference standards: Compounds from screening libraries can sometimes serve as internal standards or positive controls in analytical methods if identity and purity are confirmed; this requires item-specific validation.

Item-specific regulatory/compendial information: Not specified for this item; refer to CoA/Spec Sheet.

Physical Properties

Item-specific physicochemical data are not provided in the listing. The following fields should be confirmed from the CoA/Spec Sheet or experimentally determined.

• Molecular weight (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (literature/experimental): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (literature/experimental): Not specified for this item; refer to CoA/Spec Sheet.
• Density (literature/experimental): Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index (if liquid; literature): Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet. Note: Small-molecule screening compounds are commonly provided for dissolution in DMSO; aqueous solubility depends on ionizable groups and logP.
• LogP/logD (literature/computed): Not specified for this item; refer to CoA/Spec Sheet.
• pKa (literature/computed): Not specified for this item; refer to CoA/Spec Sheet.

Practical guidance (general):

• For initial handling, prepare a small test dissolution in anhydrous DMSO (e.g., 10–50 mM), then dilute into assay buffer while monitoring for precipitation.
• If ionizable, adjust pH within ±1 unit of compound pKa to enhance aqueous solubility. In absence of pKa, screen co-solvents (DMSO, ethanol) at ≤1–2% v/v in the final assay.

Quality and Grades

Item-specific grade and purity are not stated in the listing.

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

Context for small-molecule screening compounds:

• Typical supply formats include dry solid or pre-weighed vials/plates intended for DMSO dissolution. Purity for screening libraries is commonly ≥95% by HPLC/UPLC, but this must be verified on the item’s CoA.
• Identity is ordinarily supported by LC-MS and/or NMR. Chromatographic purity and residual solvent profiles should be checked on the CoA.
• If optical activity is relevant (chiral center), the CoA may include enantiomeric excess (ee) or diastereomeric ratio (dr). Absent such information, assume racemic or unspecified stereochemistry.
• UV cutoff, metal content, residual water, and stabilizer content: Not specified for this item; refer to CoA/Spec Sheet.

Practical guidance:

• For quantitative biology, confirm purity by on-receipt analytical check (e.g., LC-UV at multiple wavelengths, LC-MS). For SAR or medicinal chemistry, record exact lot purity and identity in assay databases.
• If purity is borderline for your application, consider repurification (flash/semiprep) and reconfirm identity prior to use.

Reaction and Applications

Based on the category, SQ 32056 is positioned as a small-molecule research compound for screening and discovery workflows rather than as a synthetic reagent.

Research and screening applications (general):

• Assay development: Use as a test article in biochemical, biophysical, or cell-based assays to probe phenotypic or target-specific readouts. When target information is unavailable, treat as an unannotated hit/chemical probe candidate.
• SAR exploration: Incorporate into preliminary structure–activity relationship matrices once activity is observed; record exact lot purity and concentration.
• Profiling: Evaluate off-target panels or physicochemical panels (solubility, stability, permeability) to generate fit-for-purpose data.

Analytical considerations:

• Prepare DMSO stocks (e.g., 10–20 mM). Verify concentration by UV (if chromophore known) or quantitative NMR/LC-UV with external standards when extinction coefficients are unknown.
• Stability testing: Check freeze–thaw resilience and solution stability (e.g., 24–72 h at room temperature and 4°C) by LC.

Not typical synthetic role:

• In the absence of disclosed functional groups, SQ 32056 is not described here as a reagent or catalyst. If used in chemical synthesis, consult the compound’s structure to identify reactive handles and compatible transformations.

Reaction Conditions

This product is not positioned as a reagent or catalyst, and no item-specific reaction condition data are provided.

If using the compound in chemical transformations (only if structure supports such use):

• Solvents: Select based on functional groups (e.g., polar aprotic for coupling, alcoholic solvents for substitutions). Absent structure, no specific recommendation can be made.
• Temperatures and catalysts: Not specified for this item; refer to literature relevant to the identified functional groups once the structure is known.

For biological/assay use (more typical):

• Stock solutions: Commonly 10–50 mM in anhydrous DMSO.
• Working concentrations: Determined by assay design and preliminary potency/toxicity data, often spanning pM–100 µM; avoid exceeding the solubility limit and co-solvent tolerances of the assay system.
• Incubation times: Align with target biology; confirm compound stability over the assay window by LC.

Item-specific reaction/assay conditions: Not specified for this item; refer to CoA/Spec Sheet and method SOPs.

Safety and Handling

Authoritative safety information should be taken from the product-specific SDS. The current listing does not include GHS classifications for SQ 32056.

GHS and hazard data (item-specific):

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

General laboratory precautions (applicable to unknown small molecules):

• PPE: Wear lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Use in a fume hood to avoid inhalation of dusts/aerosols.
• Avoid skin/eye contact and inhalation. Prevent ingestion. Wash thoroughly after handling.
• Incompatibilities: Unknown; store away from strong oxidizers, strong acids/bases, and ignition sources as a prudent default until specific guidance is available.
• First aid (overview; follow SDS/site procedures):
  • Inhalation: Move to fresh air; seek medical attention if symptoms occur.
  • Skin contact: Wash with soap and water; remove contaminated clothing.
  • Eye contact: Rinse cautiously with water for several minutes; remove contact lenses if easy to do; seek medical advice if irritation persists.
  • Ingestion: Rinse mouth; do not induce vomiting unless directed by medical personnel; seek medical attention.

Spill/leak response:

• Avoid dust formation; collect mechanically or with inert absorbent. Dispose in accordance with local regulations.

Storage and transport (from Product Data):

• Storage: Store at -20°C.
• Shipping: Shipped in ice chest with ice pads to maintain cold chain.

Solvent Selection

No item-specific solubility data are provided. The following guidance reflects common practice for small-molecule research compounds.

• Primary stock solvent: DMSO is the standard for preparing concentrated stocks (e.g., 10–50 mM), owing to broad solvating power and assay compatibility at ≤0.5–1% v/v.
• Alternative organic co-solvents: Ethanol or methanol can be used for less DMSO-tolerant systems, subject to cell/assay compatibility.
• Aqueous media: Direct dissolution into buffers depends on ionizable groups. If unknown, expect limited aqueous solubility; use co-solvent strategies and surfactant (e.g., 0.01–0.1% Tween 80) judiciously if permitted by the assay.
• pH control: If the compound is acidic/basic, adjusting buffer pH to favor ionization can enhance solubility. Without pKa data, perform a small pH/solvent screen (pH 5–9) at low compound concentration.

Comparison (general):

• DMSO vs ethanol: DMSO offers higher solvation for polar/apolar scaffolds; ethanol may reduce assay interference but often affords lower maximum stock concentration.
• PBS vs specialized buffers: PBS is widely compatible but may precipitate poorly soluble hydrophobes; HEPES or Tris buffers can offer improved stability near neutral pH.

Tips:

• Warm gently (20–40°C) and sonicate to aid dissolution. Filter (0.2 µm PTFE) to remove particulates after dilution when compatible.
• Document final co-solvent percentage in experimental records for reproducibility.

Storage and Reconstitution

From Product Data (item-specific):

• Storage conditions: Store at -20°C.
• Shipping: Ice chest with ice pads to maintain a cold chain during transit.

General best practices for small-molecule research compounds:

• Upon receipt, keep sealed and allow the container to equilibrate to room temperature before opening to prevent moisture condensation.
• If supplied as a solid: Store desiccated, protected from light (if chromophore unknown), at -20°C. Reseal promptly after use.
• If supplied in solution: Verify solvent and concentration on the label/CoA; store under inert atmosphere if indicated.
• Reconstitution:
  • Use anhydrous DMSO for initial stocks unless item-specific guidance suggests another solvent.
  • Typical starting stock concentrations: 10–50 mM, subject to solubility.
  • Filter sterilize working solutions when compatible with the assay (0.2 µm) and use freshly prepared dilutions.
• Stability:
  • Solution stability, freeze–thaw tolerance, and light sensitivity: Not specified for this item; refer to CoA/Spec Sheet. As a precaution, minimize freeze–thaw cycles by aliquoting and protect from light during handling.

Research use note:

• For research use only. Not for human or veterinary use.

Structure and Identity

Brief overview: SQ 32056 is listed as a small-molecule research compound within a compound library offering. Item-specific structural identifiers are not provided in the current listing.

• SKU: S1441469
• Product name: SQ 32056
• CAS: 139113-49-8
• Category: Small molecule and compound library (screening compound)

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

Structural features (general guidance):

• Functional groups, ring systems, and stereochemistry are not disclosed in the product data. For precise 2D structure, consult the CoA/Spec Sheet or the SDS if provided.
• If a structure becomes available, useful descriptors to document include: heteroatom content (N, O, S, halogens), aromatic vs. aliphatic character, HBD/HBA counts, rotatable bonds, and any chiral centers.

2D structure description (placeholder):

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

Synthetic Utility

SQ 32056 is listed as a small-molecule research compound without disclosed structure; it is not presented as a synthetic reagent or building block in this listing.

General guidance (conditional on structure):

• If functional handles (e.g., aryl halides, boronates, alkenes, amines, carboxylic acids) are present, the molecule could be diversified via cross-coupling, amide coupling, reductive amination, or late-stage C–H functionalization.
• Protecting group compatibility, chemoselectivity, and orthogonality depend on the actual functional group set; consult structural data once available.

When used purely as a test article:

• No synthetic transformations are typically performed; instead, focus is on assay deployment, stability assessment, and data integrity (identity/purity). If analogs are desired, leverage medicinal chemistry routes informed by the core scaffold once structure is obtained.

Item-specific reactivity or functional groups: Not specified for this item; refer to CoA/Spec Sheet.

Target Specificity

No target, pathway, or selectivity profile is provided for SQ 32056.

• Target(s): Not specified for this item; refer to CoA/Spec Sheet or primary literature if available.
• Species reactivity/coverage: Not applicable; this is a small molecule, not an antibody or protein reagent.
• Assay annotations (IC50/Ki/Kd): Not specified for this item; refer to CoA/Spec Sheet.

Guidance:

• If used as a putative probe, confirm on-target activity with orthogonal assays, counter-screens, and, where feasible, genetic tools to establish causality.