LY53857 - Moligand™ , Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor, CAS No.32896-53-0, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor
LY53857 - Moligand™ , Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor, CAS No.32896-53-0, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor
GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
This compound belongs to the class of organic compounds known as lysergic acids and derivatives. These are alkaloids with a structure based on the lysergic acid skeleton.
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
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Application Protocols
No vendor-validated application protocols are provided for this item; refer to CoA/Spec Sheet. The following general procedures are offered as non-item-specific guidance for small-molecule assay use.
General DMSO stock preparation
Equilibrate vial to room temperature in a desiccator.
Weigh the desired amount rapidly to minimize humidity uptake.
Dissolve in anhydrous DMSO to 10–50 mM; vortex and, if needed, sonicate or gently warm (≤40 °C) until clear.
Pass through a PTFE syringe filter (0.2 µm) if particulates persist.
Aliquot into low-bind tubes; purge headspace with inert gas if oxidation-sensitive; cap tightly.
Assay dilution
Add the DMSO stock last to the assay buffer while mixing to avoid local supersaturation.
Keep final DMSO ≤0.5–1.0% v/v unless your system tolerates more. Include matched vehicle controls.
Analytical checks
Verify concentration by UV or LC–MS against a standard curve if molar absorptivity is unknown.
Monitor stability over time under assay conditions (multiple time points by LC–MS/HPLC).
Note: Parameters above are general and not specific to LY53857; optimize for your assay and confirm compatibility with your targets and readouts.
Biological Roles
Item-specific biological targets, modes of action, or pathway annotations are not provided for this product; refer to CoA/Spec Sheet and primary literature linked to the CAS (32896-53-0) or CID (3034814) for authoritative details.
General guidance for small-molecule research ligands
Potential roles: Depending on structure, small molecules may act as receptor ligands, enzyme inhibitors/activators, ion channel modulators, or allosteric effectors in research assays. Exact roles for LY53857 must be verified from batch documentation and peer-reviewed sources.
Use in discovery workflows: Compounds from screening collections are commonly employed to probe biochemical pathways, validate assay formats, and seed SAR campaigns. Ensure identity/purity confirmation and solvent compatibility before biological testing.
Off-target and aggregation risks: In the absence of established target data, implement counterscreens (e.g., detergent-sensitive assays, orthogonal readouts) to distinguish genuine activity from assay interference or colloidal aggregation.
Data integrity: Record lot numbers, solvent percentages, and plate maps. Include vehicle controls and reference standards where available.
Compliance note
Research Use Only. No medical, diagnostic, or therapeutic use is intended or implied. All biological conclusions should be based on validated targets and well-controlled experiments.
Buffer Applications
This product is a small-molecule ligand and is not a buffering agent. Therefore, classical buffer formulations (e.g., phosphate, HEPES, Tris) are not applicable to LY53857 itself.
Practical assay-buffer considerations (general)
Stock preparation: dissolve in DMSO or another suitable organic solvent to make a concentrated stock; then dilute into the assay buffer. Keep total organic co-solvent at a level tolerated by your system (often ≤0.5–1.0% v/v).
Common biological buffers compatible with small-molecule additions: HEPES, PBS, Tris, and MOPS at pH 6.5–7.5 for many protein assays; citrate or acetate buffers for lower-pH needs. Confirm compound stability across the chosen pH range.
Surfactants: in aggregation-prone contexts, 0.01–0.05% non-ionic surfactant (e.g., Tween 20 or Pluronic F-127) may help maintain solubility; verify no assay interference.
Adsorption: reduce nonspecific binding by using low-retention plastics and adding carrier protein (e.g., 0.1% BSA) if appropriate for the assay.
All buffer compositions and pH selections should be optimized empirically for the intended biological system, as no item-specific buffer recommendations are provided in the Product Data.
Green Alternatives
While LY53857 is a discrete small molecule (not a solvent or reagent class that lends itself to direct “green replacement”), greener practices can be applied to its handling, dissolution, and assay use.
Greener handling strategies (general)
Prefer ethanol or water-miscible green co-solvents (ethanol, propylene glycol, PEG 400) when compatible with your assay, to reduce reliance on high-boiling aprotic solvents.
Minimize DMSO load by preparing concentrated stocks (e.g., 50–100 mM if soluble) and diluting to ≤0.5% v/v in assays.
Use microscale workflows (96/384-well) and acoustic or low-dead-volume dispensing to cut solvent consumption and waste.
Implement solvent recovery for HPLC (e.g., acetonitrile recycling) and choose lower-toxicity mobile phases where feasible (EtOH/water gradients instead of MeCN when chromatographic performance allows).
Comparison of common stock solvents (general)
DMSO: excellent solvency; higher boiling point and challenging waste profile.
Ethanol: renewable, lower toxicity; may impact biological assays at modest percentages and can extract plastics.
Acetonitrile: low viscosity, good UV properties; petrochemical origin and toxicity considerations.
Environmental and safety notes
Limit energy inputs (avoid excessive heating/evaporation) and protect from light/air if stability is uncertain to reduce degradation waste.
Consolidate waste streams (halogenated vs non-halogenated) for proper disposal. Always comply with local EHS guidance.
Pharmaceutical Uses
No pharmacopeial status, excipient role, or formulation use is specified for this item; refer to CoA/Spec Sheet. This material is provided for research use only and is not intended for diagnostic or clinical applications.
Context for drug discovery workflows (general)
Potential roles in R&D: screening hit, reference ligand, or tool compound in target validation and SAR studies, contingent on confirmed structure and target information from literature/CoA.
Pre-formulation studies: if progressing into in vivo research (outside the scope of this catalog’s intended use), practitioners typically assess solubility, stability, and vehicle compatibility (e.g., PEG 400/saline, Captisol solutions). Such activities must follow institutional approvals and regulations.
Impurity control: for any GLP/GMP-adjacent research, additional qualification (full impurity profile, residual solvents, elemental impurities) would be required—these are Not specified for this item.
Documentation
Cite the specific lot and retain CoA/analytical data in study records. Ensure chain of custody and storage conditions are recorded to support data integrity.
Reminder: No therapeutic claims are made or implied for this product.
Physical Properties
Item-specific physicochemical data (melting point, boiling point, density, solubility, logP, pKa, refractive index) are not specified for this item; refer to CoA/Spec Sheet.
Literature/computational guidance (general)
If properties are required for method development, consult authoritative databases using the CAS (32896-53-0) or CID (3034814), then cross-check against the batch CoA to confirm you have the same form (free base vs. salt; solvate/hydrate state).
Start with dry DMSO (analytical grade) to prepare a 10–50 mM primary stock; assess clarity and absence of particulates after gentle warming (25–40 °C) and sonication.
If DMSO solubility is limited, evaluate DMF, ethanol, acetonitrile, or 1:1 cosolvent mixes with aqueous buffer containing 0.5–1.0% DMSO or ethanol (v/v).
For aqueous assays, determine the precipitation limit by incremental dilution and visual/turbidimetric checks; keep final organic solvent ≤0.5–1% where assay-sensitive.
Partitioning and ionization: In the absence of structure, predicted logP/logD and pKa cannot be provided for this item. If these parameters are critical, compute with multiple algorithms (e.g., ALOGPS, ChemAxon, MoKa) and reconcile with experimental behavior (RP-HPLC retention, shake-flask logD).
Always treat any literature or in silico values as provisional until verified experimentally on the supplied batch.
Quality & Grades
Grade/Purity: Moligand™ (Product Data)
What Moligand™ typically implies (general description)
Research ligand/screening compound format intended for discovery research, assay development, and mechanistic studies. Materials in this category are commonly provided with core identity data (e.g., LC–MS and/or 1H NMR) and a catalog-grade purity suitable for screening workflows.
Unless otherwise stated on the CoA, Moligand™ items are not certified to meet pharmacopeial monographs and are not intended for diagnostic or clinical use.
What is specific to this item
Stated storage: room temperature (Product Data). No additional stabilizers or salt form are disclosed in the Product Data. Any item-specific purity, water content, residual solvent profile, or counterion identity are Not specified for this item; refer to CoA/Spec Sheet.
Practical considerations for users
For high-sensitivity applications (biophysical binding, crystallography, or ADME), confirm batch purity and identity via the provided CoA and, if needed, perform in-house QC (LC–UV/HRMS, NMR) to ensure suitability.
If UV transparency or trace metal limits are critical (e.g., for photochemical assays or metalloenzyme studies), verify on the batch documentation—these parameters are Not specified for this item.
Record the batch/lot number in all reports to ensure data traceability across screening campaigns.
Reaction & Applications
This product is categorized as a Moligand™ small-molecule ligand for research and screening rather than as a synthetic reagent. Accordingly, its primary applications are in discovery biology/chemistry workflows rather than in stoichiometric or catalytic transformations.
Research and screening use (general guidance)
Tool and probe development: evaluate LY53857 in biochemical or cell-based assays to characterize structure–activity relationships once its structure and target context are verified from the CoA/literature.
Assay development: use as a reference or comparator compound in binding, inhibition, or reporter assays, after confirming solubility and stability in your assay matrix.
Analytical characterization: develop LC–MS methods (e.g., positive/negative ESI scanning) to track compound concentration, purity, and stability under assay conditions (pH, temperature, light exposure).
If employing in synthesis
Without a disclosed structure, no specific reactivity guidance can be given for named reactions, protecting-group strategies, or functional transformations. If you intend to derivatize or immobilize the molecule, obtain the exact structural details from the batch documentation and plan transformations accordingly (e.g., amide coupling, Suzuki cross-coupling, nucleophilic substitutions) only if functional handles are present.
Practical tips
Confirm identity and purity pre-use (LC–MS/NMR), make fresh DMSO stocks, perform solubility checks, and include vehicle controls in all assays. Maintain rigorous documentation linking results to the specific lot employed.
Reaction Conditions
No reaction conditions specific to LY53857 can be provided because the Product Data do not disclose functional groups or reactivity.
General guidance for handling small molecules in method development
Solution preparation: dissolve in dry DMSO or another compatible solvent; gentle warming (25–40 °C) and sonication may aid dissolution. Avoid strong base/acid, oxidants, or reducing agents unless stability is established.
Stability scouting: evaluate stability versus pH (2–9), temperature (4–60 °C), and light exposure using LC–MS time-course assays to inform assay setup.
Chromatography: for RP-HPLC, begin with water/acetonitrile (0.1% formic acid) gradients; adjust pH and organic composition for retention and peak shape as needed.
If chemical transformations are attempted (derivatization or coupling), set up micro-scale screens varying solvent (DMF, DCM, MeCN, dioxane), base (DIPEA, K2CO3), temperature (rt–80 °C), and time, then confirm conversions by LC–MS.
Expected yields and kinetics: Not specified for this item; any literature values would be substrate- and condition-dependent. Always verify experimentally with the supplied batch and document lot numbers for reproducibility.
Safety & Handling
Hazard classification
GHS classification, signal word, pictograms, and H-statements: Not specified for this item; refer to SDS.
General laboratory precautions (non-item-specific; follow institutional EHS policies)
Handle in a chemical fume hood. Avoid inhalation of dust/aerosols and contact with skin/eyes.
Recommended PPE: lab coat, safety glasses or splash goggles, and suitable chemical-resistant gloves (e.g., nitrile). Consider double-gloving for extended handling or if solvent exposure is expected.
Avoid incompatible conditions typical for organic small molecules: strong oxidizers, strong acids/bases, ignition sources, and prolonged exposure to heat or UV unless stability is known.
Hygiene measures: wash hands thoroughly after handling; avoid eating/drinking in work areas.
First-aid overview (defer to SDS for authoritative instructions)
Inhalation: move to fresh air; seek medical attention if symptoms persist.
Skin/eye contact: rinse with copious water for ≥15 minutes; remove contaminated clothing; seek medical attention if irritation persists.
Ingestion: rinse mouth; do not induce vomiting; seek medical attention.
Special risks and notes
Unknown sensitization or photolability: protect from light until stability is confirmed.
Dust control: minimize mechanical shock; use antistatic measures when weighing fine powders.
Waste: collect organic solutions and contaminated disposables as hazardous chemical waste; comply with local regulations.
Storage
Product Data indicates storage at room temperature; maintain container tightly closed in a dry, well-ventilated area. Consult SDS for any additional constraints.
Solvent Selection
Because structure-specific solubility data are not provided, begin with robust, broadly compatible solvents for small-molecule stocks and assay dilutions.
General selection strategy
Primary stock solvent: DMSO (anhydrous) is the default for discovery compounds due to broad solvating power and compatibility with biochemical assays at ≤0.5–1.0% v/v.
Alternative neat solvents: DMF, ethanol (absolute), or acetonitrile can be evaluated if DMSO solubility is inadequate or assay-incompatible.
Aqueous work: prepare concentrated organic stocks, then dilute into assay buffer while maintaining total organic content below your assay’s tolerance threshold. Add stock last with thorough mixing to minimize local supersaturation.
Miscibility and polarity (general, not item-specific)
DMSO: polar aprotic; fully miscible with water and most organics; strong hydrogen-bond acceptor.
Ethanol: polar protic; miscible with water; often preferred for microbial or cell assays with tighter DMSO limits.
Acetonitrile: polar aprotic; fully miscible with water; low viscosity and UV cut-off advantageous for HPLC method development.
Method development tips
If reverse-phase HPLC is planned, a starting gradient of water/acetonitrile with 0.1% formic acid is widely applicable; adjust based on retention and peak shape.
For solid-phase handling, pre-wet tips/vials with solvent to reduce adsorption of hydrophobic analytes.
If the compound proves highly lipophilic, consider co-solvent systems (e.g., DMSO:PEG400:water) and surfactant-assisted delivery at very low concentrations in biological assays.
Always verify solvent compatibility with your specific assay and instrumentation.
Storage & Reconstitution
Supplied material
Storage conditions (Product Data): Room temperature. Store tightly closed in a dry, well-ventilated place, protected from excessive heat and direct light until first use.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Reconstitution (general guidance for small molecules)
Allow the vial to equilibrate to room temperature before opening to minimize moisture condensation.
Prepare concentrated stocks in anhydrous DMSO (typical 10–50 mM) or another suitable solvent verified for solubility. Mix gently until fully dissolved; brief sonication or mild warming (≤40 °C) may assist.
If sterile solutions are required, filter through a 0.2 µm PTFE membrane.
Aliquoting and solution storage (user-prepared)
Dispense single-use aliquots to avoid repeated freeze–thaw. For most small molecules, DMSO stocks are commonly stored at −20 °C or −80 °C in the dark; confirm stability empirically for your application. Clearly label aliquots with lot, concentration, solvent, and date.
Avoid prolonged exposure to air, moisture, and light if stability is unverified; consider inert-gas headspace.
Retest/expiry
No item-specific retest date is provided; refer to CoA/Spec Sheet. Inspect periodically for precipitation, discoloration, or changes in chromatographic purity before use.
Research Use Only.
Structure & Identity
Overview: LY53857 (SKU L611673) is supplied as a Moligand™ small-molecule research ligand from our screening compound collection.
CAS: 32896-53-0 (Product Data)
PubChem CID: 3034814 (Product Data)
InChIKey: Not specified for this item; refer to CoA/Spec Sheet. (Product Data notes value “167748,” which is not a standard InChIKey format.)
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.
Synonyms: Not specified for this item; refer to CoA/Spec Sheet.
Structural description
Item-specific structural features (ring systems, functional groups, stereochemistry): Not specified for this item; refer to CoA/Spec Sheet.
Notes and guidance
Identity confirmation should be based on the accompanying Certificate of Analysis (CoA) and/or Spectral Data Sheet (e.g., 1H NMR, LC–MS, HRMS). Where structure is needed for computational or assay design, retrieve canonical SMILES/InChIKey by querying the CAS or CID in a curated database, then verify against the supplied batch CoA to ensure consistency with the material received.
If you intend to build QSAR models, docking libraries, or analytical methods, verify the exact tautomeric/salt state (if any) and stereochemical assignment from the batch documentation prior to use.
Synthetic Utility
This item is supplied as a discrete small-molecule ligand for screening and is not positioned as a general synthetic building block or reagent. Because the molecular structure and functional groups are not disclosed in the Product Data, specific synthetic transformations, named reactions, or derivatization strategies cannot be recommended for LY53857.
General considerations if derivatization is contemplated
Obtain the exact structure (including stereochemistry and salt/solvate state) from the CoA/Spec Sheet and corroborating literature (CAS 32896-53-0, CID 3034814).
Map potential functional handles (e.g., amines, acids, halides, phenols) and assess chemoselectivity before planning couplings or protections.
Confirm stability toward common reaction conditions (acid/base, oxidants/reductants, heat, light) via small-scale scouting experiments and analytical monitoring (LC–MS).
If bioconjugation is desired (e.g., linker installation for target-ID), select orthogonal strategies (NHS ester/amide, click chemistry) appropriate to the available functional groups.
Analytical support
Develop orthogonal assays for identity/purity (1H/13C NMR, HRMS, HPLC/UPLC) and track potential isomerization or degradation during any synthetic manipulation.
Without item-specific structure, any synthetic use should be preceded by thorough verification of identity and reactivity.
Target Specificity
Item-specific biological target(s), binding constants, selectivity profiles, and species cross-reactivity are not provided for this product; refer to CoA/Spec Sheet and peer-reviewed literature associated with CAS 32896-53-0 or CID 3034814.
Guidance for users
If LY53857 is used as a reference ligand or tool compound, independently verify the intended target and potency metrics (e.g., Ki, IC50, EC50) from primary literature and confirm with your own assays.
Include orthogonal assays and counterscreens to assess selectivity and off-target activity. Maintain rigorous documentation linking results to the specific lot.
Research Use Only. No medical or diagnostic claims are made.
Need help choosing the grade?
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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