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 phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
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.
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Lösungsrechner
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Application Protocols
No item-specific, validated protocols are provided for ONO-AE5-599. The following are general, non-binding guidelines for handling small-molecule ligands in research.
Stock preparation (general)
Weigh the required amount quickly to limit air/light exposure. Prepare a 10–50 mM stock in DMSO (or alternative solvent validated for your assay). Vortex and, if needed, sonicate briefly. Optionally sterile-filter through 0.22 µm PTFE.
Working solutions
Dilute into assay buffer or media to the desired final concentration, keeping vehicle (e.g., DMSO) at a constant percentage across samples (commonly 0.1–0.5% v/v; do not exceed your assay tolerance).
Controls
Include vehicle-only controls and, if known, a reference compound affecting the same pathway/target. Run a serial dilution (10-point, half-log spacing) for concentration–response analysis.
Stability checks
Assess short-term stability (room temperature, assay duration) by LC–MS/HPLC. For light-sensitive compounds, protect with amber vials/foil.
Documentation
Record batch/lot, solvent, concentration, preparation date, and storage conditions in your ELN.
Disclaimer
These steps are general guidance and are not item-specific validated protocols. Always adapt to your assay SOPs and consult the CoA/SDS.
Biological Roles
From Product Data (item-specific)
Biological target, pathway, and mechanism: Not specified for this item; refer to CoA/Spec Sheet and primary literature (PubChem CID 73755159).
General considerations for Moligand-type small molecules
Such ligands are often used as pathway probes, receptor modulators, or enzyme inhibitors/activators in discovery research. However, without a verified structure/annotation, no specific biological role can be assigned here.
Prior to experimental use, confirm: the exact structure, salt/tautomeric form, stereochemistry, and any known on/off-targets from peer-reviewed literature or trusted databases.
Practical guidance
Establish a vehicle control and, where possible, a pharmacological control (compound with known effect on the hypothesized target) to contextualize results.
Perform a concentration–response study spanning at least 3–4 orders of magnitude to estimate potency and window for on-target effects vs. cytotoxicity.
Validate activity in orthogonal assays (biochemical vs. cellular) to mitigate false positives driven by assay interference (fluorescence quenching, redox cycling, aggregation). Employ counter-screens if PAINS-like motifs are suspected (once structure is confirmed).
Buffer Applications
This product is not a buffer component. However, buffers are commonly used as vehicles for small-molecule testing.
Applicability to this item
Buffering capacity or pH ranges are not applicable to ONO-AE5-599 itself.
Practical guidance for assay buffers (general)
Choose a buffer that supports target stability and readout (e.g., HEPES or PBS for cell assays; Tris, HEPES, or phosphate for enzymology) and does not react with the compound.
Maintain a consistent vehicle percentage (e.g., 0.1–1% DMSO) across controls and treatments to avoid solvent artifacts.
Filter-sterilize working solutions if required and verify compound stability in the buffer over the assay timescale by LC–MS/HPLC.
Recipes and pH ranges
Specific buffer recipes are assay-dependent and not tied to this compound. Refer to your assay SOPs and validated conditions.
Green Alternatives
Because ONO-AE5-599 is a bioactive small molecule rather than a process solvent or reagent, “green alternatives” primarily concern the choice of vehicle and sample handling.
Greener solvent considerations for stock/dilution (general guidance)
Prefer water-based buffers with minimal co-solvent when feasible. Use the lowest effective DMSO content (e.g., 0.1–0.5% v/v final) compatible with solubility.
Where DMSO is unnecessary, consider ethanol at low percentages as a more readily biodegradable vehicle; verify biological compatibility.
Non-volatile co-solvents like PEG 300/400 at low levels (1–5%) can reduce VOC emissions but may affect assay readouts.
Operational green practices
Prepare small aliquots to reduce waste and repeated thawing.
Use micro-scale solubility scouting to avoid over-preparation of unstable stocks.
Consolidate shipments with other catalog items to reduce packaging and transport impact when possible.
Trade-offs
Lower-VOC systems (PEG/water) can alter permeability or enzyme kinetics; DMSO provides superior solubilization but at higher eco-tox and worker exposure concerns. Balance solvent selection with assay fidelity and EHS policy.
Item-specific greener substitutes
Not applicable; this is a discrete small molecule ligand. Selection of alternative compounds would be based on pharmacology/assay needs rather than green chemistry per se.
Pharmaceutical Uses
From Product Data (item-specific)
Research Use Note: For research use only
Context and limitations
No pharmacopeial status, excipient role, or manufacturing use is provided. This item is not intended for human or veterinary use, clinical diagnostics, or as an API/excipient.
Typical research roles for similar items (general)
May serve as a reference standard or tool compound during discovery screening, target validation, and method development (e.g., LC–MS reference), contingent on verified identity and purity from the CoA.
Compliance notes
For GLP/GMP or regulated applications, obtain and review full documentation (CoA, SDS, impurity profile). If such documentation is not available, limit use to exploratory, non-regulated research.
Physical Properties
Item-specific physicochemical data have not been provided in the current listing. Do not assume values for assay planning—verify against the CoA/Spec Sheet or primary databases.
From Product Data (item-specific)
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
Boiling point, melting point, density, pKa, logP/logD, refractive index: Not available here. Consult PubChem CID 73755159 or vendor CoA for authoritative values.
Solubility guidance (general): Many screening ligands are most soluble in DMSO (10–100 mM stock common), variably soluble in methanol/ethanol, and may have limited aqueous solubility unless ionizable or formulated with co-solvents/surfactants.
Practical notes (general guidance)
Begin with a small-scale solubility check (e.g., 10 mM target in DMSO). If precipitation occurs upon aqueous dilution, titrate with co-solvent (DMSO 0.1–1% v/v final), gentle warming (≤40 °C), or surfactant (0.01–0.1% Tween-80) as permitted by your assay.
Avoid pH manipulation unless the compound is known to be ionizable and stable under the chosen pH range. Always document vehicle percentage for biological assays.
Quality and Grades
From Product Data (item-specific)
Grade/Purity: Moligand™
What Moligand™ typically signifies (general description; not a specification)
Moligand-grade materials are intended for use as research ligands or small-molecule tools in screening, target validation, or assay development. Suppliers commonly emphasize identity confirmation (e.g., LC–MS, MS/MS, and/or NMR) and suitability for biological testing when prepared as DMSO stocks. Exact acceptance criteria (purity %, residual solvents, water, salts) vary by catalog item and must be confirmed on the CoA.
Interpreting grade for your application (guidance)
For biochemical/cellular assays, typical expectations include high identity confidence and adequate purity to avoid off-target artifacts. If you require low nonvolatile residue or low UV background (e.g., analytical detection), request the CoA for purity method, chromatographic profile, and any stabilizers/additives.
If intended as a reference standard, verify mass balance (salt content, water of hydration) and the precise form (free base/acid, salt, solvate, polymorph) on the CoA.
Stabilizers and additives
None are listed. If stabilizers or antioxidants are present, they will be declared on the CoA/Spec Sheet. Absent such information, assume neat solid or solution as supplied and validate before regulated uses.
Reaction and Applications
This product is positioned as a research ligand for screening rather than as a synthetic reagent.
From Product Data (item-specific)
Category: Small molecules and compound libraries (小分子和化合物库)
Typical applications for Moligand-type items (general guidance)
Assay development: Use as a tool compound or hit candidate in biochemical/cellular assays to probe pathway responses, binding, or phenotypes.
SAR exploration: Benchmark against analogs to establish preliminary structure–activity relationships.
Reference control: Serve as positive/negative control where the mechanism/target is known from literature (verify target from primary sources for this specific compound).
Not typically used for
Named organic reactions or stoichiometric reagents (e.g., Grignard, reductions, couplings). If you require a building block or reagent, consult the corresponding synthetic-grade catalog.
Practical notes (general)
Prepare concentrated DMSO stocks, filter-sterilize if needed (PTFE, 0.22 µm; avoid adsorption losses by pre-wetting), and store aliquots to minimize freeze–thaw.
Confirm chemical stability under assay conditions (light, pH, reducing/oxidizing environments) via quick LC–MS or HPLC checks prior to large screens.
Reaction Conditions
Not applicable as a reaction reagent.
From Product Data (item-specific)
No reaction-use guidance is provided.
General note
If you plan to use ONO-AE5-599 in chemical transformations (e.g., as a substrate or coupling partner), first retrieve its definitive structure and functional groups from the CoA or PubChem, then consult reaction-specific literature for compatible solvents, temperatures, and catalysts. Absent such information, no conditions can be responsibly recommended.
Safety and Handling
Safety data specific to ONO-AE5-599 are not included in this listing. Treat as a bioactive small molecule of unknown hazard until the SDS is reviewed.
From Product Data (item-specific)
GHS classification/signal word/pictograms/H-statements: Not specified for this item; refer to SDS.
Storage conditions: Room temperature (per listing)
General laboratory precautions (not item-specific; follow your institutional EHS)
PPE: lab coat, safety glasses, and nitrile gloves. Use in a chemical fume hood to avoid inhalation of dust/aerosols and solvent vapors.
DMSO warning: Many small molecules readily permeate skin when dissolved in DMSO; avoid skin contact with solutions.
Incompatibilities: Unknown for this item; as a precaution, segregate from strong oxidizers/reducers and acids/bases until stability is confirmed.
First aid (general): In case of skin/eye contact, rinse with water for ≥15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If ingested, seek medical attention. Always present the SDS to medical personnel.
Spill response: Absorb with inert material (vermiculite), collect in a compatible waste container. Decontaminate area with appropriate solvent while wearing PPE.
Authoritative source
Always defer to the product-specific SDS and CoA/Spec Sheet for definitive hazards, handling, and disposal guidance.
Solvent Selection
With no structure or solubility data provided, start with a conservative, assay-friendly solvent strategy and document vehicle percentages rigorously.
General solvent hierarchy for small-molecule ligands (guidance)
Primary: DMSO (widely compatible with biochemical and cell assays); prepare 10–50 mM stocks if solubility allows.
Secondary: DMF, methanol, or ethanol for stock preparation if DMSO solubility is poor. Confirm assay compatibility.
Aqueous systems: If the compound is ionizable, aqueous buffers (pH-adjusted) or co-solvent systems (DMSO 0.1–1% v/v) can work. Consider solubilization aids (0.01–0.1% polysorbate 80, 1–5% PEG 400) as permitted.
Practical workflow
Perform a tiered solubility screen (DMSO → MeOH/EtOH → DMF) at small scale, monitoring clarity after vortexing/sonication and after dilution into the intended buffer or media.
Record precipitation onset during aqueous dilution to set maximum permitted vehicle content.
Comparison notes (general)
DMSO vs ethanol: DMSO offers broader solubility but can impact membrane permeability and enzyme activity at >1–2% v/v; ethanol is more volatile and may alter assay outcomes at ≥0.5–1%.
DMF offers strong solvation but is less favored biologically; limit final DMF to ≤0.1–0.5% if used.
Documentation
Capture solvent lot, vehicle %, and any pH adjustments in your ELN. Validate that controls contain identical vehicle conditions.
Storage and Reconstitution
From Product Data (item-specific)
Storage conditions: Room temperature
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
General guidance for small-molecule ligands (non-item-specific)
Solid form: Store in original, tightly closed container, desiccated and protected from light. If hygroscopic or light-sensitive (unknown here), use a desiccator and amber vialing.
Solution stocks: Prepare aliquots (e.g., 100–500 µL) at 10–50 mM in DMSO; store at −20 °C to −80 °C to extend shelf life. Avoid repeated freeze–thaw by using single-use aliquots.
Reconstitution: Add calculated volume of solvent to achieve the desired molarity, based on the molecular weight listed on the CoA. If MW is not available, obtain it from PubChem CID 73755159 before preparing molar stocks.
Stability notes
Item-specific stability (thermal, oxidative, photolytic) is not specified. Perform a small-scale stability assessment under intended storage and assay conditions.
Labeling and tracking
Label with compound name, lot/batch, concentration, solvent, preparation date, and storage temperature. Retain CoA and SDS with the stored material for compliance and traceability.
Structure and Identity
Brief overview: ONO-AE5-599 is supplied as a Moligand-grade small molecule for research screening. Structural descriptors are not provided in the current listing.
From Product Data
Product name: ONO-AE5-599 (SKU: O612533)
CAS: O612533 (catalog placeholder; not a standard CAS registry number)
PubChem CID: 73755159
InChIKey: 219846 (truncated/atypical format as provided)
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 (general note)
Specific functional groups, ring systems, stereochemistry, and 2D connectivity are not provided in the current product entry. Please consult the CoA/Spec Sheet or the PubChem record (CID 73755159) for definitive structure and identifiers.
How to describe the 2D structure (guidance)
Without a SMILES/InChI or structure image, detailed verbal description is not possible. If needed, extract the canonical SMILES from PubChem CID 73755159 to infer heterocycles, substitution pattern, and potential ionizable groups for downstream handling (solubility, pKa, and storage considerations).
Synthetic Utility
This product is offered as a bioactive small-molecule ligand rather than as a synthetic building block or reagent.
Applicability
Named transformations, protecting-group strategies, and reagent behavior are not typically applicable without a confirmed structure and functional group profile.
Guidance if derivatization is intended (general)
Obtain the full structure (from CoA or PubChem CID 73755159) and assess reactive handles (e.g., phenols, amines, carboxylates, halides) before planning conjugation or prodrug strategies.
If used for probe development (e.g., biotinylation, fluorophore tagging), map SAR to avoid modifying pharmacophore-essential positions. Confirm activity is retained post-derivatization.
Use orthogonal analytics (LC–MS, HRMS, NMR) to verify integrity after any modification.
Bottom line
In the absence of structure and reactivity data, treat synthetic applications as out-of-scope for this catalog item.
Target Specificity
From Product Data (item-specific)
Target, family/class, binding mode, species selectivity, and potency: Not specified for this item; refer to CoA/Spec Sheet and primary literature (PubChem CID 73755159).
Guidance (general)
Before using as a tool compound, verify the annotated target(s), selectivity over related family members, and any reported off-targets. Cross-check mechanistic claims with independent publications.
Where available, compile KD/IC50/EC50 across orthogonal assay formats to assess robustness and potential assay interference.
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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