LH1513 , CAS No.L1439187

CAS: L1439187 Cat. No.: L1439187 Fórmula: C₁₀H₁₁N₂Na₃O₈ Peso molecular: 356.17

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

LH1513 is a dioxalate derivative of l-lysine that inhibits CaOx crystallization with better activity than citrate and pyruvate. LH1513 has potential preventive activity in hyperoxaluria models and effectively prevents urinary CaOx crystal formation in Agxt knockout mice. AGXT-1 is a mitochondrial protein involved in metabolism.

Specifications

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

• Peso molecular: 356.17

Application Protocols

Item-specific facts (from Product Data)

• No tested application protocols are provided for LH1513.

General protocols for library compounds (literature/general)

• Stock preparation: Dissolve compound in anhydrous DMSO to 10–50 mM. Vortex and, if needed, sonicate briefly. Filter through 0.2 µm PTFE if particulates persist. Record exact concentration gravimetrically or by UV if extinction coefficient is known.
• Plate handling: Aliquot into low-binding 96/384/1536-well plates. Minimize freeze–thaw by single-use aliquots. Seal with heat or solvent-resistant films.
• Dilution into assay: Add to buffer or media to reach desired final concentration; maintain constant vehicle percentage across wells. Inspect for precipitation.
• Stability checks: After 24–72 h at assay temperature, re-read absorbance (turbidity) or LC-MS to confirm integrity.
• Data QC: Include vehicle controls, positive/negative controls, and, where applicable, detergent controls to mitigate aggregation artifacts.

Item-specific note

• Recommended concentrations, detection wavelengths, or positive controls: Not specified for this item; refer to CoA/Spec Sheet or internal method development.

Biological Roles

Item-specific facts (from Product Data)

• No biological function, target, or pathway information is provided for LH1513.

Applicability to this compound type

• As a small-molecule library member with undisclosed structure, intrinsic biological roles are not established. Any observed activity would be context- and assay-dependent and should be treated as preliminary until validated.

General guidance for screening compounds (literature/general)

• Use target-based assays (e.g., enzyme inhibition/activation) or phenotypic screens (cell viability, reporter assays) to evaluate potential roles.
• Employ orthogonal assays to eliminate false positives due to aggregation, redox cycling, fluorescence interference, or covalent reactivity.
• Record physicochemical descriptors (cLogP, TPSA, HBD/HBA, pKa) and filter against nuisance substructure alerts (e.g., PAINS) to anticipate assay behavior.
• If a target is implicated, confirm on- and off-target effects using counter-screens and, when applicable, chemoproteomic methods (e.g., activity-based protein profiling for covalent candidates).
• Metabolism and stability profiling (microsomes, S9, hepatocytes) can contextualize any biological signal and inform follow-up chemistry.

Note

• All uses are for research only. No clinical or diagnostic claims are made or implied.

Buffer Applications

Applicability

• Specific buffer roles for LH1513 are not known. As a small-molecule library compound, it is not itself a buffering agent.

General lab guidance (literature/general)

• When dosing into aqueous buffers (e.g., PBS, HEPES, Tris), verify compound compatibility upon dilution from DMSO or other organic stocks. Monitor for precipitation or turbidity.
• Maintain final cosolvent levels (commonly 0.1–1% v/v DMSO or EtOH) within assay tolerance. Include vehicle controls.
• For ionizable compounds (pKa unknown here), buffer pH can strongly influence solubility and apparent potency. Consider pH-shift solubility experiments (pH 5–9) to optimize conditions.

Item-specific data needed

• Buffer solubility, stability, and pH-dependent behavior: Not specified for this item; refer to CoA/Spec Sheet.

Green Alternatives

Context

• With no disclosed structure, solvent and handling choices drive most environmental impact for library compounds like LH1513. Greener practices focus on solvent selection, energy, and waste minimization.

Greener solvent options for stock preparation (literature/general)

• Consider lower-toxicity, bio-based, or higher flash-point solvents when compatible with assays:
  • PEG-400: Nonvolatile, low toxicity; often incompatible with MS and some bioassays; high viscosity.
  • Cyrene (dihydrolevoglucosenone): Emerging dipolar aprotic alternative to DMF/NMP; limited biological assay data; UV background may be higher.
  • Propylene carbonate: High boiling, low vapor pressure; miscible with water/organics; may affect some enzyme assays.
  • Ethanol: Widely accepted in biology at ≤1% v/v; solvency weaker than DMSO.

Comparison (general; not item-specific)

• DMSO vs Cyrene vs EtOH
  • Solvency: DMSO > Cyrene ≈ DMF > EtOH
  • Assay compatibility: EtOH ≥ DMSO > Cyrene (case-dependent)
  • Environmental/health: EtOH > Cyrene > DMSO (context-dependent)

Operational green tips

• Use concentrated stocks to minimize solvent volumes; validate precipitation on dilution.
• Store at −20°C to reduce degradation, thereby avoiding repeat synthesis/purchase and waste.
• Apply miniaturized assays (384/1536-well) to cut chemical use.
• Consolidate waste streams; prefer aqueous-compatible methods where feasible.

Pharmaceutical Uses

Applicability

• No pharmacopeial status, excipient role, or formulation use is provided. LH1513 is supplied strictly for research use only.

General context (literature/general)

• Library compounds with unknown structures are occasionally formulated for in vivo research once adequate safety and PK data are generated; however, without structural and quality details, no formulation recommendations can be made.
• If progression toward preclinical research is contemplated, request full analytical characterization (identity, purity, polymorph, salt form), stability data, and impurity profiles. Conduct solubility screening (pH-adjusted aqueous, cosolvent, lipids) and basic PK/tox pilot studies.

Item-specific note

• Pharmaceutical or clinical applications are not applicable for this listing and should not be inferred.

Physical Properties

Item-specific facts (from Product Data)

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Physical state (solid/liquid), color, and form: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point / boiling point: Not specified for this item; refer to CoA/Spec Sheet.
• Density, refractive index, pKa, logP/logD, UV-Vis λmax: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.

General characterization guidance (literature/general)

• For unknown library members, determine basic solubility in DMSO (e.g., 10–50 mM stock), water, PBS, and typical assay media. Use nephelometry or visual inspection for precipitation.
• If solid, perform a small-scale melting point screen (open capillary) to confirm identity vs. CoA. Differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) can reveal polymorphs or residual solvent.
• UV-Vis scan (200–400 nm) in MeCN or MeOH helps set analytical wavelengths; LC-UV at 210/254/280 nm is common for purity tracking.
• For ionizable compounds, estimate pKa via potentiometric titration or UV-spectrophotometric methods; measure logD7.4 by shake-flask or chromatographic surrogates to anticipate permeability and solubility tradeoffs.
• If volatility is suspected (low MW, nonpolar), handle under closed systems; otherwise treat as nonvolatile solid pending data.

Quality and Grades

Item-specific facts (from Product Data)

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

General guidance on grades and data packages (literature/general)

• Screening-library compounds are typically supplied at research grade with LC purity reported by LC-UV or LC-MS (e.g., area% at 210/254 nm). In the absence of a stated grade, request the CoA with analytical method details (column, gradient, detection wavelength) and acceptance criteria.
• Identity confirmation may include HRMS and 1H NMR; advanced packages may add 13C NMR and elemental analysis. For chiral compounds, request enantiomeric excess data (chiral HPLC/SFC).
• Residual solvents, water content (KF), and counterion identity (for salts) are important for reproducibility. If unstated, verify in-house prior to screening campaigns where concentration accuracy is critical.
• Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet. If present (e.g., BHT for oxidizable aromatics), document potential assay interferences.
• If UV background in biochemical assays is a concern, request low-UV-absorbing grade or verify baseline at assay wavelengths.
• Batch-to-batch consistency: Record lot, retest date, and storage history. For hits triage, re-purify or re-source material to rule out artifact due to impurities.

Reaction and Applications

Item-specific facts (from Product Data)

• Manufacturer applications: Not specified beyond listing under small molecule/compound library.

Applicability to this compound type

• As a curated library member with undisclosed structure, LH1513 is generally intended for discovery workflows (e.g., biochemical or phenotypic screening) rather than as a reagent for synthetic transformations. Without functional group information, specific reaction roles cannot be assigned.

General discovery applications (literature/general)

• High-throughput screening (HTS): Prepare DMSO stocks (10–50 mM), plate into 384/1536-well formats, and screen against target panels. Track plate maps and freeze–thaw counts to mitigate degradation or precipitation artifacts.
• Hit validation: Reconfirm activity with freshly opened vials/lots; perform orthogonal assays and counter-screens (e.g., aggregation controls with 0.01% detergent; redox/covalency alerts where relevant).
• Mechanism-of-action studies: If activity is confirmed, deploy target deconvolution (chemoproteomics, thermal shift assays, CETSA) and preliminary SAR through analog-by-catalog.
• ADME triage: Assess kinetic solubility, microsomal stability, and permeability early to prioritize tractable chemotypes.

Notes

• If synthetic use is intended, request full structural disclosure and reactivity data; otherwise, treat LH1513 as an assay probe candidate with unknown chemical reactivity.

Reaction Conditions

Applicability

• Specific reaction conditions are not applicable; LH1513 is not supplied as a reagent with defined synthetic roles, and no structural information is available to recommend conditions.

General notes (literature/general)

• If used in assay preparation rather than synthesis, “reaction conditions” translate to dilution protocols: maintain temperature control (typically ambient), avoid prolonged light exposure if chromophores are suspected, and mix thoroughly to prevent microprecipitation.
• For any attempted chemical transformation after structure disclosure, consult literature precedents for the identified functional groups and run micro-scale scouting experiments to establish compatibility.

Item-specific information

• Reaction temperatures, catalysts, or yields: Not specified for this item; refer to CoA/Spec Sheet.

Safety and Handling

Item-specific facts (from Product Data)

• GHS Classification: Not specified for this item; refer to SDS.
• Signal word / H-statements / pictograms: Not specified for this item; refer to SDS.
• Storage conditions: Store at −20°C (per Product Data).
• Shipped in: Ice chest + ice pads.
• Research use: For research use only.

General safety guidance (literature/general; defer to SDS)

• Assume unknown acute toxicity and irritation potential. Handle in a chemical fume hood with standard PPE: lab coat, safety glasses, and appropriate gloves (nitrile recommended). Avoid inhalation of dust/aerosols and skin contact.
• Incompatibilities are structure-dependent; in the absence of data, segregate from strong oxidizers, strong acids/bases, and reducing agents. Keep containers tightly closed, desiccated, and protected from light until specific stability data are available.
• First aid (overview): If skin/eye contact occurs, rinse with water for ≥15 min and remove contaminated clothing; if inhaled, move to fresh air; if ingested, rinse mouth. Seek medical attention for any exposure. Always consult the SDS for authoritative instructions.
• Spill response: Avoid dust generation. Absorb solids with damp disposable towels or inert absorbent; collect for disposal per institutional guidelines. Decontaminate surfaces with suitable solvent compatible with the material and bench surface.
• Waste: Dispose as organic laboratory waste per local regulations. Do not discharge to drains.
• Special risks: If structure contains oxidizable moieties (e.g., anilines, phenols), minimize air/light exposure; if thiols/sulfides, anticipate odor and oxidation. Confirm specific hazards on the SDS once available.

Solvent Selection

Item-specific facts (from Product Data)

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

General solvent strategy for library compounds (literature/general)

• Primary stock solvent: DMSO is the standard for small-molecule libraries due to broad solvency and compatibility with HTS robotics. Begin with 10–50 mM stocks in anhydrous DMSO; confirm clarity and stability over time.
• Aqueous compatibility: Prior to biological assays, evaluate precipitation upon dilution into buffer/media (final DMSO typically 0.1–1% v/v). Use cosolvents or surfactants (e.g., 0.01–0.05% Tween-20) if needed, ensuring assay tolerance.
• Solvent polarity ladder: If DMSO fails, screen DMF, NMP, MeOH, EtOH, and acetone. For nonpolar scaffolds, try EtOAc, MTBE, or toluene; for ionic/zwitterionic compounds, water with pH adjustment may help.
• Analytical solvents: LC-MS commonly uses water/MeCN or water/MeOH with 0.1% formic acid or 5–10 mM ammonium acetate. Adjust based on ionization behavior.

Quick comparison (general)

• DMSO: Highest solvency; hygroscopic; may affect certain assays at >1%.
• DMF/NMP: Strong solvency; higher toxicity; use when DMSO insufficient.
• MeOH/EtOH: Lower toxicity; limited for highly lipophilic compounds.
• Acetonitrile: Good for analytics; moderate solvency for stocks.
• Toluene/EtOAc: Useful for nonpolar materials; limited assay compatibility.

Storage and Reconstitution

Item-specific facts (from Product Data)

• Storage: Store at −20°C.
• Shipping: Ice chest + ice pads.
• Appearance/form and stabilizers: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/general; not item-specific specifications)

• Upon receipt, allow the sealed container to equilibrate to room temperature before opening to minimize moisture condensation. If supplied as a solid, store desiccated and protected from light.
• Reconstitution (typical practice for library compounds):
  • Prepare concentrated stocks in anhydrous DMSO (e.g., 10–50 mM) unless solubility dictates otherwise. If aqueous stocks are needed, adjust pH or use co-solvent systems validated for your assay.
  • Filter or centrifuge to remove undissolved particles. Record final concentration and date.
  • Aliquot into single-use vials or plates to avoid repeated freeze–thaw; cap tightly.
• Stability
  • Maintain at −20°C or lower for long-term storage; avoid frost-free freezer cycles. Track freeze–thaw count; many compounds tolerate ≤3 cycles, but confirm by LC-MS.
  • Protect from light if chromophores are suspected; use amber vials where possible.
• Thawing and handling
  • Thaw on ice or at room temperature; mix thoroughly before use. Inspect for precipitation; if present, warm gently or sonicate briefly, then verify integrity by LC.

Item-specific parameters

• Exact solubility limits, solution stability window, and retest date: Not specified for this item; refer to CoA/Spec Sheet.

Structure and Identity

Item-specific facts (from Product Data)

• SKU: L1439187
• Product Name: LH1513
• CAS: L1439187 (catalog identifier; not a standard CAS Registry Number)
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.

General notes for library compounds (literature/general)

• LH-series naming suggests an internally curated small-molecule library member. Structure, stereochemistry, and functional groups are typically disclosed on the Certificate of Analysis (CoA) or an accompanying SD file for screening collections.
• For cheminformatics tracking, ensure assignment of: IUPAC name, exact mass, heavy atom count, and identifiers (InChI, InChIKey, canonical SMILES). If unknown, request from supplier.

2D structure description

• Not available for this item. Upon receipt of the structural file, document key features (e.g., ring systems, heteroatoms, H-bond donors/acceptors, formal charge, stereocenters) and depict substituent positions in a flat (2D) skeletal formula for ELN records.

Synthetic Utility

Applicability

• Without disclosed structure or functional groups, LH1513 cannot be assigned a role as a synthetic reagent, building block, or catalyst.

General guidance (literature/general)

• If the structure becomes available and synthetic use is desired, assess:
  • Functional handles (e.g., aryl halides, boronates, amines, acids) for diversification via cross-coupling, amide formation, or C–H activation.
  • Protecting group liabilities and orthogonality under planned conditions.
  • Stability under common transformations (acid/base, redox, heat) and potential for late-stage functionalization.
• For SAR campaigns, identify tractable vectors and consider parallel synthesis or DNA-encoded library strategies if the scaffold is amenable.

Item-specific data needed

• Functional group inventory and reactivity profile: Not specified for this item; refer to CoA/Spec Sheet.

Target Specificity

Item-specific facts (from Product Data)

• No target, enzyme, receptor, or pathway specificity is provided for LH1513.

Applicability

• Target specificity cannot be assigned without screening data. Any claims require validated biochemical/biophysical evidence.

General guidance (literature/general)

• Determine specificity through concentration–response profiling across a panel of primary and counter-targets. Use orthogonal readouts (e.g., enzymatic turnover, thermal shift, SPR/biolayer interferometry) and rule out assay interference.
• For covalent candidates, map adducts via intact protein MS and peptide mapping; assess reversibility and residue selectivity.
• For polypharmacology assessment, deploy broad panels (kinases, GPCRs, ion channels) as relevant.

Item-specific note

• Target panel results, Ki/IC50/Kd values: Not specified for this item; refer to CoA/Spec Sheet or screening reports.