NTRC-0066-0 , CAS No.1817791-73-3

CAS: 1817791-73-3 Cat. No.: N669802 Formula: C₃₃H₃₉N₇O₂

Storage

Room temperature

Specifications

Storage

Room temperature

Action Type

INHIBITOR

Application Protocols

No item-specific application protocols are provided in the Product Data.

General protocols for small-molecule screening (not item-specific)

• Stock solution: Dissolve to 10–50 mM in anhydrous DMSO. Vortex and, if needed, sonicate briefly. Filter (0.2 µm PTFE) before aliquoting.
• Plate handling: Dispense into low-binding plates. Seal to prevent evaporation. Avoid >3 freeze–thaw cycles by preparing single-use aliquots.
• Assay setup: Titrate across a concentration range (e.g., 10-point 3-fold serial dilution). Keep final DMSO ≤0.5–1.0% v/v and include vehicle controls.
• Data quality: Include positive/negative controls and assess Z'-factor. Confirm hits in orthogonal assays and counterscreens to identify interference or aggregation.
• Stability check: Analyze pre-/post-assay wells by LC–MS when feasible to confirm compound integrity.

If analytical characterization is needed

• LC–MS: Water/MeCN + 0.1% formic acid gradient. Optimize source polarity after structure is known.
• NMR: Choose solvent based on solubility (DMSO-d6, CDCl3, CD3OD).

Biological Roles

Item-specific biological information

• Biological function/pathway targets: Not specified for this item; refer to CoA/Spec Sheet or primary literature associated with CAS 1817791-73-3.

General considerations for small-molecule libraries (not item-specific)

• Potential roles: Library members may modulate enzymes, receptors, ion channels, transporters, or protein–protein interactions. Without structure, no target inferences can be made.
• Assay artifacts: Some small molecules exhibit non-specific effects (detergent-sensitive aggregation, redox cycling, photoreactivity). Incorporate counterscreens and appropriate controls.
• Physicochemical profiling: If pursuing biological evaluation, determine solubility at assay pH, lipophilicity (logD7.4), and stability in assay buffer and microsomes to contextualize any observed activity.
• Off-target risk management: Use concentration–response curves with maximum test concentrations below solubility limits; apply cheminformatics alerts (PAINS filters) only after structure is known.

Note

• No clinical or therapeutic claims are made or implied. This product is for research use only, per the Product Data.

Buffer Applications

This section is not typically applicable to undefined small molecules that are not known buffering agents. No item-specific information suggests that NTRC-0066-0 is used to prepare buffers.

If dissolved for bioassays (general, not item-specific)

• Prepare concentrated DMSO stocks and dilute into assay buffer (e.g., PBS, HEPES, or Tris-based buffers) while maintaining final DMSO ≤0.5–1.0% v/v.
• Verify compound stability in the chosen buffer over the assay timeframe by LC–MS or UPLC.
• Adjust pH only if the compound’s ionization state is known; otherwise, avoid pH extremes and light where possible.

Item-specific buffer capacity/pKa data

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

Green Alternatives

This section is typically relevant when a product functions as a process solvent or reagent with greener substitutions. Because the structure and use-class of NTRC-0066-0 are not specified, item-specific green alternatives cannot be recommended.

General guidance (not item-specific)

• If using this compound as a solvent/reagent: Consider whether an established greener solvent (e.g., 2-MeTHF, CPME, EtOAc, propylene carbonate, water/biobased media) could perform the function. This requires knowledge of polarity, boiling point, and stability, which are not provided here.
• For analytical dissolution in screening workflows: Prefer lower-toxicity, lower VOC impact carriers such as water or buffer with minimal DMSO where assay-compatible.
• Waste minimization: Employ microscale reactions/assays, single-use low-volume plates, and consolidated quench/extraction steps to reduce hazardous waste.
• Energy considerations: Favor ambient-temperature operations and avoid unnecessary reflux or cryogenic steps unless justified by performance data.

Action item

• Review the SDS/CoA and your process map. If the compound’s role is non-critical, screen greener conditions/solvents early and benchmark performance with standard green metrics (E-factor, PMI, solvent selection guides).

Pharmaceutical Uses

No item-specific information indicates a role as an excipient or manufacturing aid.

General context (not item-specific)

• Discovery stage only: As a small-molecule library member, this material is suitable for non-clinical research, HTS, and SAR studies. It is not qualified for human or veterinary use.
• Excipient standards: If an excipient role were intended (e.g., solvent, stabilizer), pharmacopeial grades (USP/EP/JP) and compendial tests would be specified. None are provided for this item.
• Formulation screening: If used in pre-formulation experiments (in vitro only), characterize solubility across pH, stability to oxidation/hydrolysis, and compatibility with common vehicles (PEGs, polysorbates) as appropriate.

Research Use Note (from Product Data)

• For research use only.

Physical Properties

Item-specific properties

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• Density: 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.
• 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, pKa: Not specified for this item; refer to CoA/Spec Sheet.

General laboratory guidance (not item-specific)

• For small molecules of unknown polarity, assess solubility empirically in a standard panel: water, phosphate buffer (pH 7.4), MeOH, EtOH, isopropanol, acetonitrile, DMSO, DMF, ethyl acetate, toluene, and hexanes.
• For analytical work-up, begin with UPLC/LC-MS in a water–acetonitrile (0.1% formic acid) gradient and adjust based on retention/ionization.
• If the material is a solid, start dissolution trials at 1–10 mg/mL in DMSO, then titrate with aqueous buffer for working stocks if required by the assay. If it is a liquid, confirm neat density and purity by GC/GC-MS where appropriate.
• Thermal behavior (MP/BP) should be verified experimentally on your lot if process parameters depend critically on these values.

Quality & Grades

Item-specific grade details

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

General guidance on grades (not item-specific)

• Research grade: Suitable for discovery and screening applications; specifications may focus on identity and bulk purity by NMR/LC.
• Purity descriptors: “HPLC purity” refers to area% by a validated chromatographic method; “GC purity” indicates volatile purity by GC-FID. Always confirm which method the assay refers to.
• Water/solvent content: Karl Fischer (KF) and residual solvent profiles are often relevant for bioassay reproducibility and crystallization; consult CoA for lot-specific results.
• Elemental/metal impurities: For catalytic or analytical sensitivity, verify ICP-MS or elemental analysis data if provided.
• Stabilizers/inhibitors: If a stabilizer is used, it will be explicitly listed on the label/CoA. None are specified for this item.

Recommendations

• For screening libraries, verify identity by LC–HRMS and purity by UPLC prior to critical assays.
• If UV-based assays are planned, request low-UV or HPLC-grade solvents during sample prep to minimize baseline noise; for the compound itself, review its UV spectrum if available.
• Retain CoA and SDS with your batch records; lot-to-lot changes can affect bioassay outcomes.

Reaction & Applications

Item-specific applications

• Manufacturer Applications: Not provided in Product Data.

General applications for small-molecule library members (not item-specific)

• High-throughput screening (HTS) and hit identification: Use as part of a structurally diverse library to probe biochemical or cell-based assay targets.
• Hit validation/SAR: If activity is observed, prepare analog-focused plates and confirm with orthogonal assays to rule out assay interference.
• Reference/positive control: Pending structural knowledge and literature, a library compound can serve as a comparator or spike-in standard.

Assay design considerations

• Assess compound interference risks (fluorescence, redox activity, aggregation/PAINS). Run counterscreens (e.g., detergent sensitivity, redox quenchers, light controls) and orthogonal readouts.
• Confirm identity/purity post-assay if anomalous activity is observed (e.g., LC–MS before/after assay to detect degradation).

Synthesis-related use

• Without structural information, this product should not be assumed to be a synthetic building block. Use as a synthetic reagent only after structure and reactivity are confirmed from the CoA/SDS or primary literature linked to CAS 1817791-73-3.

Reaction Conditions

Item-specific reaction conditions

• Not specified for this item; refer to CoA/Spec Sheet. No reaction guidance can be given without knowing the functional groups present.

General considerations (not item-specific)

• If later used as a substrate or intermediate, determine:
  • Solvent compatibility across polarity (e.g., DCM/EtOAc/MeOH/MeCN/THF/toluene/water)
  • Stability to acids/bases (TFA, HCl, NaOMe, K2CO3) and common reagents (oxidants, reductants)
  • Metal-catalyst tolerance (Pd, Ni, Cu) and ligand/catalyst screening ranges
• Typical lab ranges (illustrative, not for this item): ambient to 100 °C under inert atmosphere; 0.1–10 mol% catalysts; 0.5–1.5 equiv reagents; reaction times from 0.5–24 h depending on transformation.

Recommendation

• Establish a small DoE to map solvent, base/acid, and temperature effects for any transformation attempted once the structure is known.

Safety & Handling

Authoritative safety information must be taken from the SDS for the specific lot. The Product Data do not include GHS details for this item.

Item-specific safety data

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

General laboratory precautions (not item-specific)

• PPE: Use appropriate gloves (e.g., nitrile), lab coat, and eye protection (splash goggles). Handle in a fume hood to avoid inhalation exposure.
• Avoid contact with skin and eyes; prevent aerosol formation. Do not ingest or inhale. Wash thoroughly after handling.
• Incompatibilities: Unknown for this item; segregate from strong oxidizers, strong acids/bases, and reactive metals until specific compatibility is confirmed via SDS.
• First aid (overview): If inhaled—move to fresh air; if on skin—wash with soap and water; if in eyes—rinse cautiously with water for several minutes; if swallowed—rinse mouth. Seek medical attention as indicated by SDS.
• Spill/accident response: Absorb small spills with inert material (e.g., vermiculite), collect in suitable container for disposal. Prevent release to drains.
• Waste: Dispose of via licensed chemical waste contractor according to local regulations and the SDS guidance.

Note

• For unknown or library compounds, adopt a conservative hazard stance (treat as harmful/irritant) until SDS confirms otherwise.

Solvent Selection

Item-specific solvent guidance

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

General approach for small-molecule library members (not item-specific)

• Stock preparation for screening: Start with an anhydrous DMSO stock (e.g., 10–50 mM). If precipitation occurs, test DMF or a mixed co-solvent system (DMSO:water, DMSO:buffer, DMSO:MeOH).
• Orthogonal solvent set for characterization: DMSO, DMF, MeOH, EtOH, acetonitrile for LC–MS; CDCl3, DMSO-d6, CD3OD for NMR depending on polarity and functional groups.
• Aqueous compatibility: If required for biochemical assays, titrate DMSO stocks into assay buffer to ≤0.5–1.0% v/v DMSO to minimize solvent effects; include a vehicle control.

Comparison (general)

• DMSO vs DMF: DMSO offers excellent solvation and lower volatility; DMF can rescue some poorly soluble neutral species but is less preferred for bioassays.
• MeOH/EtOH: Useful for intermediate polarity analytes and UV-friendly methods; may not fully dissolve highly lipophilic solids.
• Acetonitrile: Excellent for LC; limited dissolving power for strongly lipophilic compounds.

Practical tips

• Filter 0.2 µm before chromatographic injection to protect columns.
• Record and report final solvent composition in all assay protocols for reproducibility.

Storage & Reconstitution

Item-specific storage conditions (from Product Data)

• Storage: Room temperature.
• Shipped in: Not specified for this item; refer to CoA/Spec Sheet.

General storage guidance (not item-specific)

• Protect from moisture, heat, and light until the stability profile is known. Store in a tightly closed, inert-atmosphere container if the compound is air- or moisture-sensitive (verify via SDS/CoA).
• For DMSO stocks: Store at −20 °C to 4 °C in amber vials; thaw at room temperature and vortex to ensure homogeneity. Avoid repeated freeze–thaw cycles by preparing aliquots.
• For solid material: If hygroscopic, handle quickly in a dry environment. Record net mass promptly to avoid water uptake skewing concentrations.

Reconstitution (not item-specific)

• Solvent selection: Start with anhydrous DMSO. If insoluble, test DMF or alcohols, then consider co-solvent systems.
• Working solutions: Prepare fresh on the day of use when possible. Filter through 0.2 µm to remove particulates prior to analytical or bioassay use.

Documentation

• Retain the lot-specific CoA and SDS for final, authoritative instructions on storage, stability, and reconstitution parameters.

Structure & Identity

Brief overview: This product is listed in the small-molecule/compound library category. However, no structural identifiers beyond the CAS number are provided in the Product Data.

Item-specific facts (from Product Data)

• SKU: N669802
• Product Name: NTRC-0066-0
• CAS: 1817791-73-3
• 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 features

• Functional groups, ring systems, heteroatoms, and stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.

2D structure (descriptive)

• Without a provided SMILES/InChI or name, a reliable 2D description cannot be given. Please consult the product CoA, SDS, or a specification sheet for definitive structural information tied to CAS 1817791-73-3.

Notes

• If you plan to use this material in screening or as a reference compound, confirm identity by orthogonal methods (e.g., 1H/13C NMR, HRMS, and HPLC/UPLC purity) using documentation provided with your lot.

Synthetic Utility

Item-specific synthetic roles

• Not specified for this item; refer to CoA/Spec Sheet. Without structural information, NTRC-0066-0 should not be presumed to be a building block or reagent.

General guidance (not item-specific)

• If the structure becomes available and suggests functional handles (e.g., aryl halide, boronate, carboxylate, amine, alcohol), then common transformations may apply: cross-coupling (Suzuki, Buchwald–Hartwig), amidation/esterification, reductive amination, nucleophilic substitutions, or protection–deprotection tactics.
• For route scouting or analog synthesis, confirm the stability domains (acid/base, redox, thermal, photolytic) and use orthogonal analytics (LC–MS, NMR) to monitor transformations and impurities.
• Where chirality is present, establish enantiopurity by chiral HPLC/SFC and consider asymmetric catalysis or chiral pool strategies for analog expansion.

Note

• Treat this material primarily as a screening compound unless documentation clearly positions it as a synthetic intermediate.

Target Specificity

Not applicable. This section pertains to biologics (e.g., antibodies, proteins) where clone, isotype, antigen, and species reactivity are relevant. NTRC-0066-0 is listed as a small-molecule/compound library member, and no biological target specificity is provided in the Product Data.

Item-specific details

• None available; refer to CoA/Spec Sheet if target annotations are later supplied.