QUALITÉ & PURETÉMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
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C of A & Other Certificates(BSE/TSE, COO):
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Application Protocols
No validated applications are listed for LB42908 in the provided data. The following outlines general, non-item-specific practices for small-molecule screening compounds.
Example general workflow (non-binding guidance):
Stock preparation: dissolve in DMSO to a convenient concentration (e.g., 10–50 mM), filter if particulate matter is present using a low-binding PTFE or PVDF membrane. Record exact mass, solvent, and final concentration.
Aliquoting: dispense into low-volume, low-binding tubes or 96/384-well plates; minimize headspace; seal to limit evaporation and moisture uptake.
Dosing: use acoustic or pin-tool transfer where available; keep final DMSO within assay tolerance. Include vehicle controls at matching solvent levels.
Stability check: visually inspect for precipitation after dilution; confirm by light scattering or absorbance at 600–700 nm when feasible.
Data integrity: include replicate wells and orthogonal readouts to mitigate false positives.
Important: These steps are generic to library compounds and are not item-specific recommendations. For LB42908, consult the CoA/Spec Sheet for any special handling instructions if available.
Biological Roles
Item-specific biological role, mechanism, or endogenous function for LB42908 is not provided. No clinical or therapeutic claims are made. The following are general considerations for small-molecule library members used as research ligands:
Putative role: chemical probe candidate for in vitro/in cellulo exploration once a target association is established through screening and follow-up validation.
Without a known structure and annotation, the compound should be treated as function-agnostic until verified by binding assays, enzymology, or phenotypic profiling.
If target engagement is observed, employ orthogonal assays (e.g., CETSA/thermal shift, SPR, MST, ITC) to measure affinity, stoichiometry, and thermodynamics.
When used in cells, adopt best practices to examine off-target liabilities (aggregate-based inhibition, redox cycling, nonspecific membrane disruption) and evaluate basic ADME characteristics (permeability, efflux, stability) once structure is known.
Item-specific data that remain required (not provided here):
Exact structure, ionization state(s), and calculated properties (cLogP, tPSA) to contextualize cell permeability and solubility.
Any documented protein targets, pathways, or phenotypic outcomes from the manufacturer or literature.
Research-use restriction: For research use only. Not for human or veterinary use.
Buffer Applications
LB42908 is a small-molecule screening compound, not a buffering agent. Therefore, conventional buffer system guidance (e.g., phosphate, Tris, HEPES) does not directly apply.
Practical notes (general):
When dosing the compound into biochemical buffers, maintain co-solvent (e.g., DMSO) at assay-tolerated levels to avoid perturbing buffer capacity or protein stability.
Confirm compound compatibility with buffer additives (detergents, reducing agents, metals, or cofactors) to mitigate precipitation or assay interference.
If ionizable, compound apparent solubility can be pH-dependent; assess over the assay-relevant pH window using minimal co-solvent.
Item-specific buffering capacity, pKa(s), or recommended buffer recipes: Not specified for this item; refer to CoA/Spec Sheet once the structure is available.
Green Alternatives
In the absence of item-specific solvent and process data, green considerations focus on typical handling of screening compounds and their solutions.
Greener choices for stock and working solutions (general):
Prefer water-based buffers with minimal co-solvent where solubility permits.
If an organic co-solvent is needed, evaluate ethanol or isopropanol as more benign alternatives to high-boiling dipolar aprotics, while respecting assay tolerances.
Comparison of common solvents (general, literature-based):
Acetonitrile: volatile and readily recoverable; toxicity and flammability require controls.
Ethanol/IPA: renewable routes available; higher assay tolerability; limited solvency for very hydrophobic molecules.
PEG 300/400 (co-solvent): low volatility and good safety profile; viscosity can complicate liquid handling.
Operational greening:
Use high-concentration master stocks to minimize solvent volume throughout workflows.
Implement microscale assays, acoustic dispensing, and closed 96/384-well formats to reduce emissions and waste.
Reuse vials/plates when chemically compatible; segregate waste for solvent recycling.
Note: Select greener options only after confirming compound stability and assay performance; these are general trade-offs, not item-specific specifications.
Pharmaceutical Uses
No pharmaceutical or clinical use is assigned to LB42908. It is supplied strictly for research use only.
Formulation context (general, non-therapeutic):
In discovery settings, compounds may be formulated into preclinical assay vehicles (e.g., DMSO stocks diluted into aqueous media, or simple oral gavage vehicles for exploratory in vivo research where permitted by institutional approvals). Any such use requires internal safety/toxicology review and is outside the scope of this catalog entry.
As an excipient or pharmacopeial substance: no information is provided, and LB42908 should not be considered an excipient.
Manufacturing/CMC perspective (general):
If progressed for further research, typical developability profiling includes chemical stability (hydrolysis/oxidation), solid-state form (polymorph/salt/co-crystal), and compatibility with common formulation excipients. Item-specific data are not available here and must be generated experimentally.
Regulatory status: Not specified; this product is not intended for human or veterinary applications.
Physical Properties
Item-specific specifications:
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
Molecular formula: 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.
LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
pKa: Not specified for this item; refer to CoA/Spec Sheet.
Refractive index/UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
Solubility: Not specified for this item; refer to CoA/Spec Sheet.
General guidance (literature/general):
Small-molecule screening compounds are frequently solid at ambient conditions and are often formulated as DMSO stocks (e.g., 10–50 mM) for HTS/HCS workflows; aqueous solubility varies widely with ionizable groups and aromaticity.
If aqueous work is intended, assess solubility across pH using co-solvent strategies (e.g., DMSO ≤1–2% v/v in final assay), or salt forms when applicable.
Without an exact structure, computed properties (cLogP, tPSA) cannot be generated—obtain the structure (SMILES/InChI) first, then use cheminformatics (e.g., RDKit, ACD/Labs, ChemAxon) for reliable predictions.
Note: Do not treat literature/general ranges as specifications; rely on the CoA for batch-specific physical data.
Item-specific purity value, residual solvents, water content, metals, and chromatographic criteria: Not specified for this item; refer to CoA/Spec Sheet.
About Moligand™ (general description of grade family):
Moligand™ denotes Aladdin’s focus on ligand-like small molecules suitable for discovery chemistry workflows such as target screening, hit validation, and exploratory SAR. While the brand implies suitability for chemical biology and screening, purity specifications and analytical release criteria are defined on a per-SKU basis in the CoA.
Analytical considerations (general):
For screening compounds, vendors commonly provide identity confirmation by LC–MS and 1H NMR; chromatographic purity is frequently assessed by UV-diode array or MS detection. Because these practices vary by compound, confirm the actual release tests for LB42908 on the CoA.
If low UV background is important (e.g., for HPLC assay detection), request the UV spectrum or chromatographic trace to ensure compatibility with your analytical method.
Stabilizers/inhibitors:
No stabilizer is listed for this item. If stabilizers or salt forms are present for other lots, they will be explicitly stated on the CoA/Spec Sheet.
Reaction and Applications
This SKU is positioned as a small-molecule library member rather than a general-purpose synthetic reagent. Without a disclosed structure, reaction-specific use cases cannot be assigned. The following focuses on typical applications for discovery chemistry (general guidance):
Primary application: hit identification and validation in biochemical, biophysical, and cell-based assays (e.g., enzyme inhibition/activation screens, receptor binding, phenotypic assays).
Secondary uses: cheminformatics benchmarking, property profiling (Lipinski, cLogP, tPSA after structure is known), and orthogonal assay development (e.g., thermal shift assays, SPR, MST, DSF).
Follow-up chemistry (structure-enabled): once the structure is confirmed, LB42908 could serve as a seed scaffold for SAR exploration—analogue synthesis, substituent scanning, or fragment growth/merging strategies.
Orthogonal confirmation: verify activity using at least two independent readouts to mitigate assay interference (fluorescence artifacts, redox cycling, colloidal aggregation). Employ counterscreens and detergent controls where applicable.
Practical tips (general):
Prepare fresh DMSO stocks or aliquot and freeze to minimize freeze–thaw cycles if stability data suggest sensitivity.
Track and limit compound DMSO exposure time at ambient conditions to reduce adventitious water uptake and potential hydrolysis for moisture-labile chemotypes (structure-dependent).
Note: No specific biochemical target or reactivity is assigned to this item in the provided data.
Reaction Conditions
No reaction condition data are provided for LB42908, and the compound is not positioned as a reagent. Consequently, there are no item-specific protocols for use in named reactions.
General guidance (if derivatization is contemplated after structure disclosure):
Solvents: select based on functional group compatibility (e.g., polar aprotic for couplings, protic for ionizable substrates). Common options: DMF, DMAc, NMP, MeCN, dioxane, toluene, or alcohols as needed.
Bases/acids: carbonate bases (K2CO3, Cs2CO3), amines (DIPEA, TEA), or mineral/organic acids depending on transformation; ensure compatibility with other groups present.
Catalysts: Pd(0/II) for cross-coupling, Cu(I) for azide–alkyne cycloaddition, boron reagents for borylation—contingent on the compound’s handles.
Temperatures/times: guided by literature precedent for the functional groups; begin with small-scale screens and monitor by LC–MS.
Because no structure is provided, the above are general, literature-based suggestions and should not be construed as specifications for LB42908.
Safety and Handling
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.
Best practices (general laboratory guidance):
Handle in a chemical fume hood with standard PPE: lab coat, safety glasses, and appropriate gloves (e.g., nitrile). Avoid inhalation of dusts/aerosols and skin/eye contact.
If preparing DMSO stocks, note that DMSO enhances dermal absorption of dissolved substances; minimize skin contact and promptly clean spills.
Unknown reactivity: segregate from strong oxidizers and strong acids/bases unless the compound’s compatibility is confirmed. Keep away from ignition sources if organic and potentially combustible.
First aid (general): upon skin contact, wash with soap and water; for eye contact, rinse with water for several minutes; if inhaled, move to fresh air; if ingested, rinse mouth. Seek medical attention if symptoms persist.
Waste: dispose according to local regulations for organic laboratory chemicals. Do not discharge to drains.
Storage (per product data):
Room temperature. As a prudent measure, store in a tightly closed container, in a dry place, protected from light and moisture until detailed stability data are reviewed in the SDS/CoA.
Solvent Selection
Item-specific solubility data are not provided. The following guidance is general for small-molecule screening compounds and should be validated experimentally for LB42908.
Primary stock solvent (general): DMSO is commonly used given its broad solvating power and assay compatibility at low final percentages (often ≤1–2% v/v, assay-dependent).
Secondary/alternative solvents (general): DMF, acetonitrile, ethanol, and isopropanol can be considered; water miscibility and assay tolerance differ.
Aqueous work: adjust pH for ionizable compounds and use minimal co-solvent. Consider forming salts (HCl, TFA, or organic amine salts) if the structure permits.
Miscibility/polarity (general context):
DMSO: highly polar, miscible with water and many organics; can affect biomembranes at higher percentages.
Acetonitrile: polar aprotic, water-miscible, volatile; limited solubility for very lipophilic compounds.
Ethanol/IPA: protic; improved biological tolerance but may precipitate hydrophobic analytes in aqueous buffers.
Practical workflow:
Screen solubility in DMSO at 10–50 mM, then dilute into assay buffer maintaining DMSO ≤ assay limit.
If precipitation occurs, increase temperature slightly, sonicate briefly, or reduce concentration.
Confirm working solution clarity over the assay time course.
Note: None of the above constitutes item-specific specifications; verify with a small-scale solubility test.
Storage and Reconstitution
Item-specific storage and reconstitution details are limited; follow the conservative practices below alongside the provided storage condition.
Storage (item-specific): Room temperature per product data. Absent detailed stability information, store in the original, tightly closed container, in a dry place, protected from light. Avoid prolonged exposure to ambient humidity.
Shipping: Not specified for this item; refer to CoA/Spec Sheet.
Reconstitution solvent: Not specified for this item; DMSO is commonly used for small-molecule screening compounds (general guidance). Validate solubility before preparing concentrated stocks.
Stock preparation (general best practice): prepare an accurately weighed amount and dissolve to a convenient concentration (e.g., 10–50 mM) in dry DMSO. Vortex and, if needed, briefly sonicate. If particulates persist, consider gentle warming or lower concentration.
Aliquoting and stability (general): make single-use aliquots to minimize freeze–thaw. If freezing is elected (e.g., −20 °C for DMSO stocks), avoid repeated cycling; thaw at room temperature, mix, and inspect for precipitation before use.
Shelf life: Not specified for this item; refer to CoA/Spec Sheet. Conduct periodic QC checks (LC–MS, HPLC) on long-stored stocks to verify integrity.
Research Use Note: For research use only. Not for human or veterinary use.
Structure and Identity
Concise overview: LB42908 (SKU: L611463) is listed within Aladdin’s small-molecule/compound library portfolio (Moligand™). Specific structural identifiers for this catalog entry are limited in the current product data.
Product Name: LB42908
SKU: L611463
CAS: 226927-89-5
PubChem CID: 91623355
InChIKey (provided): 392802 (note: this is not in the standard 27-character InChIKey format; verify on CoA/SDS)
SMILES: Not specified for this item; refer to CoA/Spec Sheet.
Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
Structural features:
Item-specific functional groups, ring systems, heteroatoms, and stereochemistry are not provided in the current data. Consult the CoA/Spec Sheet or structural database cross-reference (using CAS or CID) for definitive identity, including 2D structure and any chiral centers.
General notes (literature/general):
Compounds in ligand-oriented libraries (e.g., Moligand™ collections) commonly adhere to drug-likeness heuristics (e.g., heteroatom content, aromatic/heteroaromatic cores, and balanced polarity), but this is a general expectation rather than an item-specific fact.
For unambiguous identification, rely on a definitive structure file (SDF/Molfile), verified InChI/InChIKey, and spectral identity (e.g., LC–MS, 1H NMR) as listed on the item’s certificate.
Synthetic Utility
LB42908 is provided as a small-molecule library member rather than a general synthetic building block. Without the disclosed structure, its functional group chemistry and synthetic versatility cannot be detailed.
General considerations when a structure becomes available:
If bearing classic handles (e.g., aryl halide, boronate, alkyne, azide, amine, carboxyl), the compound might be modified via cross-coupling (Suzuki, Sonogashira), amide coupling, click chemistry (CuAAC/SPIEDAC), reductive amination, or nucleophilic substitutions to generate analogues.
Protecting-group strategies, chemoselectivity, and orthogonality depend entirely on the functional groups present.
For SAR, consider positional scanning and isosteric replacements once hotspots are identified in a target model or co-crystal structure.
Item-specific reactivity, functional groups, and derivatization strategies: Not specified for this item; refer to CoA/Spec Sheet and structural data.
Target Specificity
Item-specific target, enzyme/receptor class, or pathway engagement for LB42908 is not provided.
Known target(s): Not specified for this item; refer to CoA/Spec Sheet or internal screening results.
Species selectivity: Not specified for this item.
Mechanism of action: Not specified for this item.
General recommendation:
Establish target specificity through a tiered screening cascade: primary assay hit confirmation, counterscreens to eliminate assay interference, orthogonal biophysical binding, and selectivity profiling across related enzymes/receptors where applicable.
Foire aux questions
What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 226927-89-5. InChIKey VZWZHIJGBPHRDI-UHFFFAOYSA-N.
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.
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