(S)-ARI-1 - ≥99% , CAS No.2003228-82-6

CAS: 2003228-82-6 Cat. No.: S1455659 Formule: C₂₀H₂₂O₇ Poids moléculaire: 374.38

QUALITÉ & PURETÉ ≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

(S)-ARI-1 is an S-enantiomer of ARI-1. ARI-1 is a ROR1 inhibitor and apoptosis inducer, used in NSCLC research.

Spécifications

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

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

Pureté

≥99%

Noms et identifiants

Poids moléculaire

374.38

Application Protocols

No tested application protocols are provided for (S)-ARI-1. The following are general, non-item-specific guidelines for handling small-molecule research compounds:

• Stock preparation:
  • Prepare concentrated stocks in dry DMSO (e.g., 10–50 mM) when compatible. Filter through 0.22 µm if particulate is present. Record exact concentration by weight-in or quantitative NMR if needed.
• Biochemical/cellular assays:
  • Dilute into assay buffer or media to the required final concentration, keeping organic solvent ≤0.1–1% v/v. Include vehicle controls. Verify solubility and absence of precipitation at working concentration.
• Analytical confirmation:
  • Confirm identity/purity by LC–MS and HPLC before critical experiments. For chiral materials, check ee/er by chiral HPLC/SFC at first use and periodically during storage.
• Stability checks:
  • Perform short-term stability tests at room temperature and 37°C in the chosen matrix (buffer/media) to define handling windows.

For any application beyond these general practices, consult the CoA/SDS and your internal method development data. Do not treat the above as item-specific instructions.

Biological Roles

The Product Data do not specify a biological mechanism, target, or role for (S)-ARI-1. As such, no item-specific biological function can be claimed.

General considerations for chiral research compounds (literature-based guidance):

• Enantiomers can differ significantly in binding affinity, metabolism, and off-target profiles in biochemical assays. If (S)-ARI-1 is intended for target screening, verify stereochemical integrity over time (racemization risk depends on structure and pH/temperature).
• Stock solutions for in vitro assays are commonly prepared in DMSO and diluted into buffered systems. Adsorption to plastics/glass can occur for lipophilic/basic compounds; mitigate with compatible carriers or surfactants at minimal levels.
• If the compound contains ionizable groups, apparent potency may depend on assay pH due to changes in protonation state and permeability.

Important: No clinical or therapeutic claims are made. This product is supplied strictly for research use only, as noted in the Product Data. For any biological experiments, consult the SDS/CoA and verify purity, identity, and stability under your assay conditions.

Buffer Applications

(S)-ARI-1 is not described as a buffering agent, and no pKa or acid/base functionality is provided. Therefore, buffer preparation guidance specific to this item does not apply.

General laboratory guidance (non-item-specific):

• If you need to dissolve (S)-ARI-1 for biochemical assays, select a buffer based on the compound’s ionization profile (once known):
  • For acidic compounds, pH above pKa improves solubility (formate, phosphate, or Tris buffers depending on compatibility).
  • For basic compounds, pH below pKa increases solubility (citrate, acetate, phosphate buffers).
• Maintain low organic co-solvent percentages in biological assays (commonly ≤1% DMSO v/v). Validate assay readouts for solvent tolerance.

For exact buffer systems and pH ranges, refer to the structure- and pKa-dependent recommendations once available from the CoA or internal characterization.

Green Alternatives

Without a defined structure or application for (S)-ARI-1, specific greener substitutes cannot be prescribed. However, you can incorporate green chemistry principles in handling and process design surrounding this material.

General strategies (literature-based):

• Solvent selection hierarchy: prefer water, ethanol, ethyl acetate, isopropanol, 2-MeTHF, CPME, or propylene carbonate over chlorinated or highly toxic solvents when compatible with the compound.
• Reaction media: consider micellar catalysis or solvent-free/mechanochemical conditions if the chemistry permits and the substrate is sufficiently stable.
• Energy efficiency: favor ambient temperature and pressure; apply flow chemistry or photochemistry where these reduce waste or hazards.
• Workup/waste: choose greener extraction solvents (EtOAc over DCM), use minimal solvent volumes, and employ reusable solid-supported scavengers where applicable.

Illustrative solvent comparison (generic, literature):

• THF vs 2-MeTHF: similar polarity; 2-MeTHF offers improved renewability and phase-splitting behavior; check solubility and stability first.
• DCM vs EtOAc: EtOAc is less toxic and biodegradable; has higher boiling point but easier EHS profile.

Adopt these alternatives after confirming compatibility with (S)-ARI-1’s actual physicochemical profile from its CoA/structure.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation use is provided for (S)-ARI-1. This product is labeled for research use only and is not intended for human or veterinary use.

General information (non-item-specific):

• If (S)-ARI-1 is evaluated in preclinical research, typical formulation approaches for small molecules include DMSO stock solutions followed by dilution into PEG-400/saline, Captisol, or lipid-based vehicles; selection is structure- and study-dependent and outside the scope of this catalog entry.
• No claims are made regarding GMP status or suitability for clinical manufacturing. For regulated applications, request documentation on quality systems, impurity profiles, and residual solvents/metals; these are not specified for this item.

Conclusion: There are no authorized pharmaceutical or excipient uses associated with this listing. Use only in research settings under appropriate institutional oversight.

Physical Properties

Item-specific physical constants are not provided in the Product Data and should be confirmed on the CoA/Spec Sheet for batch-specific values.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (BP): Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• pKa(s): Not specified for this item; refer to CoA/Spec Sheet.

General laboratory guidance (literature/good practice):

• If the compound is a small organic molecule, initial solubility screening can be performed in DMSO, DMF, methanol, ethanol, acetonitrile, and water/buffer at desired pH. Record concentration limits and clarity.
• For potential acids/bases, measure pH-dependent solubility and consider salt formation. For zwitterions or peptides, aqueous solubility may increase near isoelectric points; add co-solvents as needed.
• Thermal behavior can be profiled by DSC/TGA if handling/process design requires knowledge of phase transitions or decomposition onset.

Note: Because structure and measured constants are not specified here, do not rely on generic values for process design. Always defer to the item’s CoA/SDS for authoritative specifications.

Quality and Grades

Item-specific grade/purity and stabilizer content are not provided in the Product Data for (S)-ARI-1.

• Item-specific statements:

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

• General guidance on grades (literature/industry practice):

  • Research or screening-grade small molecules typically report assay purity by HPLC/UPLC area %, plus identity confirmation (1H NMR, MS). Some listings include water/volatile content by Karl Fischer/LOD and residual solvents.
  • For chiral materials, enantiomeric excess (ee) or enantiomeric ratio (er) is the critical quality metric. Confirm via chiral HPLC/SFC; optical rotation can be supportive but is method-dependent.
  • Biologically oriented compounds may be provided with additional data such as endotoxin, bioburden, or residual metal profiles when relevant.

• Implications for use:

  • If your application is enantiosensitive (e.g., biological assays or asymmetric synthesis), request or verify the enantiopurity on the batch CoA.
  • For trace analysis or photophysical work, low UV background/fluorescence may be important; if applicable, request spectral impurity profiles.

Please consult the CoA/SDS for this specific lot of SKU S1455659 to confirm all analytical specifications before regulated or scale-up work.

Reaction and Applications

Manufacturer application details are not provided for (S)-ARI-1, and the chemical structure is not specified. Therefore, specific reaction roles cannot be assigned.

General possibilities to consider (literature-based, non-item-specific):

• If (S)-ARI-1 is a chiral small molecule, it could be used as:
  • A chiral building block or auxiliary in asymmetric synthesis (e.g., formation of diastereomeric intermediates to effect stereocontrol).
  • A screening compound for biochemical targets in discovery research (structure-activity studies), typically dosed from DMSO stocks.
• If it contains coordinating heteroatoms, it may function as a ligand or organocatalyst component; verify with structure and supplier notes before such use.

Practical tips (general):

• Verify identity and purity upon receipt (1H/13C NMR, LC–MS). For chiral compounds, assess enantiopurity by chiral HPLC/SFC.
• If used in reactions: dry glassware/solvents as required, control temperature, and monitor progress by TLC/UPLC. For moisture- or air-sensitive substrates, perform under inert atmosphere.
• Record exact stoichiometry and conditions as the lack of a defined structure precludes default protocols.

Please consult the CoA/SDS and any available structural dossier for concrete application guidance tailored to (S)-ARI-1.

Reaction Conditions

Specific reaction conditions for (S)-ARI-1 are not available because the structure and functional groups are not provided. Do not assume standard conditions without confirmation.

General guidance (literature-based, non-item-specific):

• Couplings (if applicable):
  • Amide formation: carbodiimide (EDC/HOBt), HATU, or CDI in DMF/DCM with base; maintain low temperature if racemization risk exists.
  • Cross-coupling: Pd-catalyzed Suzuki in aqueous DMF/THF/2-MeTHF with K2CO3/Cs2CO3 at 25–80°C; Buchwald–Hartwig C–N with Pd/XPhos/BrettPhos in toluene or dioxane.
• Protection/deprotection: Choose orthogonal protecting groups compatible with any stereocenters; avoid strong base/acid if epimerization-prone.
• Workup: Quench carefully and select extraction solvents based on polarity; monitor by LC–MS.

Stability considerations:

• Control exposure to heat, light, and moisture until stability is known from the CoA or internal studies. If chiral and base-labile, keep pH neutral to slightly acidic and limit residence time at elevated temperature.

Always pilot on milligram scale first and adapt conditions to the actual functional groups confirmed from the structural data.

Safety and Handling

Hazard information specific to this SKU is not provided in the Product Data. Always review the product-specific SDS before use.

• GHS information (item-specific):

  • Signal Word: Not specified for this item; refer to SDS.
  • H-Statements: Not specified for this item; refer to SDS.
  • Pictograms/GHS classification: Not specified for this item; refer to SDS.

• Storage and shipping (from Product Data):

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

• General laboratory precautions (good practice):

  • Handle in a chemical fume hood. Wear suitable PPE: lab coat, safety glasses, and appropriate chemical-resistant gloves. Avoid inhalation of dust/vapors and contact with skin/eyes.
  • For powders, minimize dust generation; for hygroscopic materials, keep container tightly closed and limit exposure to air. For light-sensitive materials, use amber containers.
  • Incompatibilities are structure-dependent; in absence of structure, segregate from strong oxidizers/reducers, strong acids/bases until the SDS confirms compatibility.

• First aid (overview; follow SDS/site protocol):

  • Skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing; seek medical attention as needed.
  • Inhalation: Move to fresh air; monitor breathing; seek medical attention if symptoms persist.
  • Ingestion: Rinse mouth; do not induce vomiting unless directed by medical personnel.

Dispose of waste according to local regulations; when identity/hazards are uncertain, manage as hazardous organic chemical waste by default.

Solvent Selection

No item-specific solubility profile is provided. Appropriate solvent choice will depend on the actual functional groups and polarity of (S)-ARI-1.

• Practical screening workflow (general, literature-based):

  • Start with DMSO at room temperature for small-molecule libraries, then dilute into aqueous buffers or media with 0.1–1% final DMSO where biologically compatible.
  • If DMSO is unsuitable, test DMF, methanol, ethanol, isopropanol, acetonitrile, ethyl acetate, and acetone. For lipophilic compounds, explore toluene, THF, or 2-MeTHF; for basic or acidic compounds, adjust pH to favor ionization and aqueous solubility.
  • For moisture-sensitive species, use rigorously anhydrous solvents and handle under inert atmosphere.

• Decision factors (general):

  • Polarity index and dielectric constant align with ionization state: polar/protic for salts and H-bond donors; polar/aprotic for SN2 or coupling chemistry; nonpolar for hydrophobic extractions.
  • Consider volatility for downstream removal and toxicity/green metrics for EHS compliance.

• Comparison note (generic):

  • DMSO offers broad solubility but has high boiling point; ACN/meOH are easier to remove; 2-MeTHF/EtOAc present greener alternatives to chlorinated solvents for many workflows.

Confirm final solvent system and concentration empirically for your application. Refer to the CoA or internal method development data for definitive solubility statements.

Storage and Reconstitution

Item-specific storage and shipping conditions are provided; reconstitution details are not.

• From Product Data:

  • Storage Conditions: Store at 2–8°C.
  • Shipped In: Wet ice.

• Container and handling (general good practice):

  • Keep tightly closed in the original container. If hygroscopic, minimize headspace and exposure to ambient humidity. For light-sensitive materials, store in amber vials.
  • Upon first opening, consider aliquoting into small vials to reduce freeze–thaw or warm–cold cycling and headspace oxygen.

• Reconstitution (general, non-item-specific):

  • Small molecules: Dissolve in a suitable anhydrous solvent (commonly DMSO) to make a concentrated stock; filter if needed. Record exact concentration.
  • Aqueous use: Dilute stocks into buffer immediately before use. If pH-sensitive, adjust buffer pH to ensure stability and solubility.
  • If the material is supplied as a solid with unknown stability in solution, prepare only what is needed for short-term use and store remaining solid at 2–8°C.

• Stability notes:

  • Long-term solution stability is structure-dependent and not specified for this item; verify by LC–MS/HPLC after storage trials. Avoid prolonged exposure to elevated temperature unless supported by data.

Always defer to the product’s CoA/SDS for definitive guidance on storage, handling, and reconstitution specific to SKU S1455659.

Structure and Identity

This product is listed as (S)-ARI-1 with limited structural identifiers provided in the Product Data.

• Item-specific identifiers from Product Data:

  • CAS: 2003228-82-6
  • 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.

• Naming notes (general chemistry):

  • The (S)- prefix denotes a defined absolute configuration at one stereogenic center according to the Cahn–Ingold–Prelog rules (literature). This implies the material is chiral and is supplied as a single enantiomer (or enriched), but exact enantiomeric excess is not specified for this item.
  • Without a structure, ring systems, heteroatoms, and functional groups cannot be enumerated. Consult the CoA or structure file from the Spec Sheet for full connectivity and stereochemical descriptors.

• Practical implications (general):

  • Chiral compounds often exhibit enantioselective interactions in asymmetric catalysis, chiral recognition, and biological assays. If applicable to your work, confirm optical rotation and enantiopurity by chiral HPLC/SFC or polarimetry using conditions appropriate to the actual structure (literature guidance).
  • If multiple tautomers or protonation states are possible (structure-dependent), the predominant form will depend on pH/solvent; verify with NMR.

All structural specifics should be verified against the official SDS/CoA for SKU S1455659.

Synthetic Utility

Without the defined structure of (S)-ARI-1, precise synthetic transformations cannot be enumerated. The (S)- descriptor indicates chirality, suggesting potential utility in enantiosensitive chemistry if functional groups align.

General synthetic considerations (literature-based):

• If (S)-ARI-1 bears a handle amenable to coupling (e.g., acid, amine, halide, boronate), it may be used in amide couplings, nucleophilic substitutions, or cross-couplings (Suzuki–Miyaura, Buchwald–Hartwig, etc.). Confirm compatibility with its functional groups.
• For chiral building blocks, diastereoselective transformations or chiral auxiliary strategies can transfer stereochemical information. Ensure conditions avoid racemization (control pH, temperature, and activating agents).
• Purification: Enantioenriched compounds are commonly purified by silica chromatography under neutral conditions or by preparative chiral HPLC/SFC; avoid basic alumina for base-sensitive stereocenters.

Analytical controls:

• Track enantiopurity (ee/er) by chiral HPLC/SFC after key steps and upon storage. Cross-check identity by NMR, HRMS, and, if crystalline, by single-crystal XRD for absolute configuration assignment.

Refer to the CoA and structural dossier for choosing appropriate reagents and conditions tailored to (S)-ARI-1’s actual functional groups.

Target Specificity

No target, binding partner, or specificity data are provided for (S)-ARI-1 in the Product Data. There is no indication that this is an antibody, protein, or target-directed reagent.

• Antigen/epitope: Not specified for this item; refer to CoA/Spec Sheet.
• Species reactivity: Not specified for this item; refer to CoA/Spec Sheet.
• Clone/isotype: Not applicable.

If your intended research involves biological targets, confirm mechanism-of-action or binding data from your internal studies or published literature for the exact compound corresponding to CAS 2003228-82-6.

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% 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 2003228-82-6, the molecular formula is C20H22O7, and the molecular weight is 374.38 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.