L-363564 , CAS No.86153-46-0

CAS: 86153-46-0 Cat. No.: L1443633 Formula: C₅₄H₇₆N₁₂O₁₀ Molecular Weight: 1053.26

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

L-363564 is a renin inhibitor. L-363564 can be used in cardiovascular disease related research.

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

INHIBITOR

Names and Identifiers

Molecular Weight

1053.26

Application Protocols

No manufacturer-validated protocols are provided for this item. The following generic workflows are commonly used for small-molecule screening.

• Preparing DMSO stock solutions:

  • Warm sealed vial to ambient temperature before opening. Accurately weigh compound into an amber microvial.
  • Add anhydrous DMSO to achieve 10–50 mM; vortex and briefly sonicate if needed. Record exact concentration by gravimetric calculation.
  • Optional: pass through 0.22 µm PTFE filter if particulate persists.

• Serial dilution for plate-based assays:

  • Prepare intermediate DMSO dilutions (e.g., 10-point 1:3 series). Backfill wells with DMSO to equalize solvent.
  • Transfer to assay plates to achieve final solvent ≤1% v/v. Mix gently; avoid bubbles.

• Aggregation and interference controls (recommended):

  • Include 0.01–0.05% non-ionic detergent controls where compatible.
  • Run redox/fluorescence interference panels as relevant to your readout.

• Stability checks:

  • Assess 24–48 h bench-top stability in assay buffer with and without biomolecules; confirm by LC–MS.

All steps are for research use only.

Biological Roles

Biological function, targets, and pathways for this specific compound are not provided in the Product Data.

General guidance for small-molecule library members (no medical/clinical claims):

• Potential roles can include modulation of enzymes, receptors, ion channels, or transporters in cell-free or cellular assay systems.
• Use in pathway interrogation: apply dose–response and time-course studies to infer pathway placement; complement with chemoproteomics or transcriptomics to identify putative targets.
• Off-target assessment: incorporate orthogonal assays (thermal shift, CETSA, NanoBRET) and counterscreens to detect assay artifacts such as redox cycling, metal chelation, or aggregate-based inhibition.
• ADME profiling (research-only): determine microsomal stability, permeability (PAMPA/MDCK), and solubility/aggregation propensity to inform assay design and exposure limits.

Buffer Applications

This product is not a buffer component; no buffer capacity or pKa information is provided. For research screening, it is typically formulated as a DMSO stock and diluted into assay buffers.

Practical tips (general):

• Maintain final DMSO ≤0.5–1% v/v in PBS, HEPES, or Tris buffers unless your assay tolerates higher levels.
• Add compound last to pre-equilibrated buffer to reduce precipitation; include 0.01% non-ionic detergent if aggregate formation is suspected and assay-compatible.
• Filter buffers (0.22 µm) and degas if required by detection (e.g., SPR, ITC).

Green Alternatives

With structure-specific hazards and solvent demands not disclosed for this item, green chemistry considerations focus on solvent and waste choices during handling and screening.

• Prefer greener stock/dilution solvents when feasible:
  • Replace DMF with DMSO or ethanol when compatibility allows.
  • Use water-based buffers at low final organic content (≤1% v/v DMSO or ethanol) for assays.
• Minimize waste:
  • Plan plate maps to reduce dead volumes; use acoustic dispensing or low-dead-volume tips where possible.
  • Consolidate compatible waste streams; segregate halogenated solvents.
• Energy and cold-chain:
  • Store at −20 °C as specified, but avoid unnecessary deep-cold shipment repeats by coordinating deliveries and aliquoting to reduce freeze–thaw cycles.

Illustrative comparison (general, not item-specific):

• DMSO vs DMF: DMSO is generally preferred for toxicity and environmental profile; DMF is more problematic (reprotoxic), reserve for last resort.
• Ethanol vs methanol: Ethanol is typically less toxic and a better green choice; methanol may be required for high polarity but use sparingly.
• ACN vs THF: ACN offers low viscosity and miscibility with water; THF raises peroxide and stability concerns—manage accordingly if used.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation use is specified for this item. This product is supplied strictly for research use only (non-clinical, non-diagnostic).

General R&D context (non-clinical):

• May be used in pre-formulation research to assess solubility, stability, and compatibility with common excipients for discovery-stage studies.
• Suitable for in vitro and ex vivo test systems after verification of purity and stability; not for administration to humans or animals for therapeutic purposes.

Physical Properties

Item-specific physicochemical values are not provided in the Product Data.

• 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.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• pKa(s): Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/practice, not item-specific):

• For small-molecule library members, initial dissolution is commonly performed in anhydrous DMSO (e.g., 10–50 mM stocks), followed by dilution into aqueous assay buffers containing 0.1–1% DMSO.
• If the compound is poorly soluble in DMSO, alternative co-solvents include DMF, ethanol, or PEG400; mixed-solvent systems and gentle heating (≤40 °C) with sonication can assist dissolution (avoid prolonged heating and light exposure until stability is known).
• Assess stability by small-scale freeze–thaw tests and short-term LC/UV/LC–MS checks prior to large assays.

Quality & Grades

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

Interpretation and guidance:

• For small-molecule library items, purity is commonly assessed by HPLC/UPLC with UV and/or MS detection. When available, consult the CoA for assay method, detection wavelength(s), gradient, and reported purity basis (area% vs weight%).
• If the compound will be used in quantitative biology/chemistry assays, a purity of ≥95% (HPLC area%) is typically targeted; for preliminary screening, ≥90% may be acceptable, but verify tolerance of impurities for your platform.
• Stabilizers/inhibitors: None specified for this item. If a stabilizer is present in your CoA, note implications for downstream assays (e.g., BHT, ascorbate, acid salts), potential assay interference, and removal strategies if necessary.
• Identity testing: Where provided, corroborate by HRMS and NMR (1H/13C) data on the CoA. For salts/solvates, confirm stoichiometry and counterion identity.
• Batch-to-batch tracking: Record lot numbers and retain reference spectra/chromatograms for reproducibility.

Reaction & Applications

This SKU is listed as a small-molecule/compound library member and is primarily intended for screening, target validation, and chemical biology studies rather than as a synthetic reagent.

Application modes (general guidance):

• High-throughput screening (HTS) and fragment/lead discovery: prepare serial dilutions from DMSO stocks, evaluate dose–response, and assess selectivity across secondary panels.
• Chemical probe development: if the structure is available to your project, derivatization (e.g., for biotinylation or photoaffinity tagging) can enable target engagement studies; ensure IP/usage rights and stability are compatible.
• Mechanistic enzymology or receptor pharmacology: apply in kinetic or binding assays after confirming solubility and absence of aggregate-based inhibition (include detergent controls and light scattering checks).

Not typically applicable: classical named-reaction roles (e.g., cross-coupling partners, bases, or oxidants) unless your project specifically uses the compound as a building block—no such use is indicated in the Product Data.

Reaction Conditions

Not applicable based on available Product Data. This item is provided as a small-molecule/compound library member for screening rather than as a reagent in synthetic transformations.

If derivatization is pursued (project-specific):

• Select conditions based on the revealed functional groups (e.g., amide couplings with EDC/HATU in DMF or DCM, Suzuki couplings in polar aprotic solvents, carbamate formation with chloroformates). Optimize temperature and base to preserve sensitive motifs.
• Verify reaction progress and purity by LC–MS/UPLC; confirm identity by NMR/HRMS.

Safety & Handling

Hazard classification is not provided in the Product Data for this item. Always consult the product SDS for authoritative safety information.

• GHS signal word/classification/pictograms: Not specified for this item; refer to SDS.
• Primary hazards (general): Unknown; handle as a potentially harmful laboratory chemical. Avoid inhalation, ingestion, skin and eye contact.
• PPE: Lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Use a fume hood when weighing, dissolving, or transferring.
• Engineering controls: Work in a certified chemical fume hood; minimize aerosol/dust formation. For lyophilized powders, allow to equilibrate to ambient temperature before opening to reduce condensation.
• Incompatibilities (general): Avoid strong oxidizers and strong acids/bases until compatibility is established. Do not mix with reactive metals or reducing agents without prior assessment.
• First-aid overview (general):
  • Inhalation: Move to fresh air; seek medical attention if symptoms persist.
  • Skin contact: Wash with soap and water; remove contaminated clothing.
  • Eye contact: Rinse cautiously with water for several minutes; seek medical advice if irritation persists.
  • Ingestion: Rinse mouth; seek medical attention.
• Waste: Collect organic solvent waste according to institutional and regulatory requirements; segregate halogenated vs non-halogenated streams when applicable.
• Transport: Shipped in an ice chest with ice pads as provided; keep package upright and protect from physical damage.

Solvent Selection

Item-specific solubility data are not provided. The following is general best practice for small-molecule library compounds.

• Primary stock solvent: Anhydrous DMSO is typically preferred due to broad solubilization capacity and compatibility with biological assays at ≤0.5–1% v/v.
• Alternatives: DMF, ethanol (absolute), methanol, acetonitrile, or PEG400; for highly lipophilic compounds, consider co-solvent blends (e.g., DMSO:PEG400:water or DMSO:EtOH:water) or inclusion of non-ionic surfactants at very low levels (e.g., 0.01–0.05% Tween-80) after evaluating assay tolerance.
• Aqueous buffers: Direct dissolution into water-based buffers is not recommended unless ionizable functionality and pKa are known. Prefer DMSO stocks followed by controlled dilution.
• Decision tips:
  • If the compound contains basic centers (literature/general): limited acidification (e.g., 10–20 mM HCl in water/MeOH) can improve solubility of the free base.
  • For acidic compounds: mild basification (e.g., 10–20 mM NaOH in water/MeOH) can assist. Validate stability at adjusted pH.
• Filtration: If needed, use PTFE or PVDF membrane filters (0.22–0.45 µm); avoid nylon if strong acids/bases or DMF are present.

Small comparison (general):

• DMSO: highest solvency, biologically compatible at low %; higher viscosity.
• EtOH/MeOH: good miscibility with water; potential assay effects above ~1–2%.
• ACN: low viscosity, miscible; may affect some protein assays.

Storage & Reconstitution

• Storage conditions: Store at −20 °C (per Product Data). Protect from moisture and light until stability is characterized.
• Shipping: Ice chest with ice pads (per Product Data). Upon receipt, promptly place at −20 °C.

Reconstitution (general guidance; item-specific solubility not provided):

• Preferred solvent: Anhydrous DMSO for initial stock preparation.
• Concentration: Commonly 10–50 mM, adjusted to solubility; if precipitation occurs, lower concentration or use alternative co-solvent (DMF, ethanol) as compatible with assays.
• Aliquoting: Dispense single-use aliquots in low-bind, amber tubes to avoid repeated freeze–thaw and light exposure.
• Freeze–thaw: Minimize cycles; thaw on ice or at room temperature, mix gently, and promptly return unused aliquots to −20 °C.
• Stability: Not specified for this item; refer to CoA/Spec Sheet. Establish in-house stability by periodic LC–MS/HPLC.

Long-term handling:

• Use desiccant and inert atmosphere (e.g., nitrogen-filled desiccator) for solids until reconstituted.
• For aqueous working solutions, prepare fresh daily unless stability has been verified.

Structure & Identity

Overview: This item is listed in our small-molecule/compound library category; detailed structural identifiers are not provided in the Product Data for this specific SKU.

• SKU: L1443633
• Product name: L-363564
• CAS: 86153-46-0
• 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.
• Synonyms: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general notes):

• Structural class and functional groups are not disclosed in the provided data. If structure becomes available, report ring systems (aliphatic/heteroaromatic), presence of heteroatoms (N/O/S/halogens), stereocenters, and protecting groups if any.
• 2D description guidance (to be completed when structure is available): identify core scaffold, substituent pattern, ionizable centers, and any macrocyclic or peptidic motifs.

Synthetic Utility

No synthetic role is indicated for this item in the Product Data. Without a disclosed structure, it is not feasible to detail functional-group-based transformations.

General notes if structural information is obtained for your project:

• Identify reactive handles (e.g., aryl halides, carboxylates, amines, alcohols) for potential derivatization, SAR expansion, and linker installation.
• Protecting-group strategy and chemoselectivity should be guided by the compound’s heteroatom pattern and steric profile.
• When creating probe derivatives (biotin/fluorophore/photoaffinity), plan minimal perturbation near putative pharmacophores and validate activity retention.

Target Specificity

Target, epitope, or selectivity information is not provided for this SKU.

• Target(s): Not specified for this item; refer to CoA/Spec Sheet or internal screening results.
• Species reactivity/assay context: Not specified for this item; define per your experimental system.

Recommendation: Determine apparent target specificity through orthogonal assays (e.g., biochemical activity vs binding, counterscreens against related target families, and chemical liability panels).