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 n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at its terminal nitrogen atom.
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 validated application protocols are provided for this specific item.
Item-specific (Product Data)
Tested applications and recommended dilutions: Not specified for this item; refer to CoA/Spec Sheet.
General guidance for small-molecule screening (non-item-specific)
Stock preparation: Prepare a DMSO stock (e.g., 10–50 mM) under clean, dry conditions. Vortex and sonicate if needed.
Working solutions: Dilute into assay buffer immediately before use to minimize precipitation and degradation. Keep final DMSO within validated assay limits.
Controls: Include vehicle controls, positive reference ligands (if available), and counter-screens for assay interference.
Storage of aliquots: Dispense single-use aliquots to avoid repeated freeze–thaw; store as recommended under Storage & Reconstitution.
Documentation
Record lot number, preparation date, solvent, and concentration on each aliquot label and in your ELN for full traceability.
Biological Roles
No target, pathway, or mechanism information has been provided for IQM-97423.
Item-specific (Product Data)
Target specificity: Not specified for this item; refer to CoA/Spec Sheet.
General context for screening ligands
Screening compounds serve as chemical matter for discovering modulators of enzymes, receptors, transporters, or protein–protein interactions. They may act via orthosteric, allosteric, or covalent mechanisms depending on their functional groups (not specified here).
Early biological characterization typically includes potency (IC50/EC50), selectivity panels, cytotoxicity counterscreens, and metabolic stability (microsomes/hepatocytes), none of which are item-specific here.
Guidance for users
If using IQM-97423 in discovery assays, document assay conditions, DMSO content, and observed activity to build replicable SAR. Maintain light, air, and temperature controls if the compound shows sensitivity during pilot runs.
Consider profiling for pan-assay interference (PAINS) motifs only after the exact structure is confirmed.
Buffer Applications
This product is a small-molecule screening compound, not a buffering agent.
Applicability
Not typically used to prepare buffer systems. No pKa or buffering range is provided.
Practical note
For biological assays, dissolve in DMSO and dilute into a suitable buffer (e.g., phosphate, HEPES) keeping final DMSO within assay tolerance. Specific buffer composition should be optimized per target and assay format.
Green Alternatives
As a screening ligand, the compound itself is not subject to “green alternative” substitution. However, greener practices can be applied to solvents and workflows used with IQM-97423.
Greener solvent choices (general)
Prefer water-based buffers with minimal DMSO where assay design allows.
Replace DMF with safer polar aprotic options when feasible (e.g., Cyrene, propylene carbonate) in synthetic or sample-prep contexts after verifying compound stability.
For chromatography, reduce acetonitrile use by employing water/methanol systems when compatible with detection and retention.
Sample preparation
Use micro-scale dissolution and serial dilution to minimize solvent waste.
Employ high-concentration DMSO stocks and dilute at point-of-use to reduce transport volume and packaging.
Process and energy
Favor room-temperature operations for dissolution; avoid unnecessary heating or prolonged sonication.
Trade-offs (general)
Greener alternatives may alter solubility, stability, or assay performance. Always perform small-scale compatibility checks to confirm that the compound remains soluble, stable, and non-adsorptive in the chosen greener medium.
Pharmaceutical Uses
No pharmacopeial status or excipient role is provided for this item, and it is supplied strictly for research use only.
Item-specific (Product Data)
Research Use Note: For research use only.
Context (general)
Screening compounds can inform early discovery but are not intended for human or veterinary use, diagnostic procedures, or as drug substances/excipients.
If formulation studies are undertaken for research, typical vehicles include DMSO, aqueous buffers with solubilizers (e.g., cyclodextrins, polysorbates), or lipid-based systems—only after confirming compound stability and compatibility.
Documentation
No pharmacopeial monograph, GMP status, or clinical-grade information is provided or implied.
Physical Properties
Item-specific physicochemical specifications have not been provided.
Item-specific (Product Data)
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
Commonly referenced properties for small-molecule screening ligands (literature/general; not item-specific)
Melting/boiling point: varies widely by scaffold; obtain from item CoA.
Density/refractive index: typically reported for liquids/oils; many screening compounds are solids and are characterized by mp and HPLC purity.
Solubility: DMSO is the most common stock solvent (10–50 mM stocks are typical practice, literature). Aqueous solubility depends on ionizable groups and logP.
logP/logD and pKa: Critical for ADME profiling; use calculated values or experimental data if provided in the CoA or PubChem record for CID 11757476.
Practical guidance (general)
If the solid does not fully dissolve in DMSO at room temperature, sonication or gentle warming (≤40 °C) is commonly used. Avoid prolonged heating that may cause degradation.
For aqueous assays, prepare DMSO stocks and dilute into buffer to a final DMSO content (e.g., 0.1–1% v/v) compatible with your biology platform.
Quality & Grades
This product is supplied under the Moligand™ designation, indicating a small-molecule ligand intended for screening and discovery workflows.
Item-specific (Product Data)
Grade/Purity: Moligand™ (no explicit purity percentage provided). Not specified for this item; refer to CoA/Spec Sheet for exact purity, assay, and residual solvent details.
What Moligand™ typically implies (general description; not an item-specific guarantee)
Designed for research screening (e.g., HTS, fragment or lead-like libraries).
Frequently accompanied by analytical characterization such as HPLC purity and MS confirmation. Specific acceptance criteria are defined per item in the CoA.
May be provided as dry solid or as a film suitable for DMSO reconstitution; packaging details vary by item.
Practical quality considerations
Verify identity and purity via the provided CoA before quantitative biology or SAR studies.
For chromatography-based purity assessment, low-UV-absorbing solvents and properly validated gradients are recommended to ensure accurate baselines.
If the compound is chiral and a single enantiomer is required, confirm enantiopurity; otherwise, racemates may yield ambiguous SAR.
Documentation
For regulatory or QA records, retain lot-specific CoA and SDS. If your workflow requires additional analytics (qNMR, water content, salt form determination), request them from technical support prior to use.
Reaction & Applications
This product is positioned as a Moligand™ screening compound rather than a synthetic reagent. Accordingly, its primary use is in discovery biology and chemoinformatics rather than as a stoichiometric reactant.
Item-specific (Product Data)
Manufacturer Applications: Not specified for this item; refer to catalog updates or CoA.
Typical research applications for screening ligands (general)
High-throughput screening (HTS) and hit identification across biochemical or cell-based assays.
Secondary/orthogonal assays to confirm activity, evaluate selectivity, and define preliminary SAR.
Biophysical binding methods: DSF/Tm shift, SPR, MST, ITC, NMR (ligand-observed), where compound solubility and stability permit.
Chemical biology probes: If activity and selectivity emerge, analogs can be prepared for target engagement studies (e.g., CETSA, ABPP if derivatizable moieties exist).
Practical tips
Validate identity and purity prior to screening to minimize false positives originating from impurities or degradation products.
Assess aggregation liability (e.g., detergent sensitivity, Hill slope anomalies) especially at higher micromolar concentrations.
Confirm redox or fluorescence interference potential by running assay-specific counter-screens.
Not a general reagent
No named reactions or stoichiometric transformations are provided or implied for this item. If synthetic elaboration is intended, obtain and review the full structural information first.
Reaction Conditions
Not applicable as no synthetic use is defined for IQM-97423 and no structure or reactivity data are provided.
Item-specific (Product Data)
None provided.
General note
If using the compound only as a screening ligand, reaction conditions are irrelevant. Should derivatization be planned, obtain full structure and consult literature precedents for that specific scaffold before designing conditions.
Safety & Handling
No GHS classification or hazard phrases were provided for this specific item. Handle as a research chemical of unknown toxicity and hazard potential.
Item-specific (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: Room temperature (per Product Data).
General laboratory precautions (defer to SDS for authoritative guidance)
PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Work in a fume hood to avoid inhalation of dust/vapors.
Avoid ingestion, inhalation, and skin/eye contact. Wash thoroughly after handling. Do not pipette by mouth.
Incompatibilities: Unknown for this item; avoid strong oxidizers/reducers and moisture until specific compatibility is confirmed by SDS/CoA.
First aid (general): In case of exposure, rinse affected area with water for ≥15 minutes. Seek medical attention if irritation persists. If inhaled, move to fresh air.
Spills and disposal (general)
Small spills: Absorb with inert material, collect for chemical waste disposal. Prevent release to drains.
Waste: Dispose in accordance with institutional and local regulations. Do not mix with incompatible wastes without compatibility review.
Transport note
No special shipping information was provided. Always consult the SDS for transport classifications before off-site shipment.
Solvent Selection
No structural data are provided for IQM-97423; solvent guidance is therefore general for small-molecule screening compounds.
Item-specific (Product Data)
None provided regarding solubility; consult CoA.
General solvent strategy for screening ligands
Primary stock solvent: DMSO is the default due to broad solubilizing power and biological compatibility at low percentages.
Secondary options: DMF, ethanol, methanol, or acetonitrile for analytical work; IPA can also be useful. For aqueous use, co-solvent systems (buffer + 0.1–1% DMSO/Tween 80 where compatible) are common.
Buffers: Phosphate- or HEPES-based buffers are typical for assay dilution when pH control is required.
Practical recommendations
Start with 10–50 mM DMSO stock solutions. If precipitation occurs upon aqueous dilution, reduce final concentration of compound, warm gently, or increase DMSO fraction within assay tolerance.
Filter through 0.22 µm PTFE filters if particulates persist (check for adsorption losses in low-concentration work).
Avoid non-anhydrous alcohols and basic solvents if the compound is moisture- or base-labile; confirm stability with a small test aliquot.
Analytical compatibility
LC-MS: Water/acetonitrile or water/methanol with 0.1% formic acid (positive mode) or 5–10 mM ammonium acetate (negative mode) are common. Validate ionization and retention for the specific compound once identity is confirmed.
Storage & Reconstitution
Handling guidance based on the provided storage instruction and common practices for small-molecule screening compounds.
Item-specific (Product Data)
Storage Conditions: Room temperature.
Shipped In: Not specified for this item; refer to CoA/Spec Sheet.
General storage best practices (non-item-specific)
Keep container tightly sealed in a dry place, protected from light and atmospheric moisture. Desiccants are recommended for hygroscopic or hydrolytically sensitive compounds (sensitivity not specified here).
For long-term integrity, many labs transfer to amber vials and store at controlled room temperature; if instability is suspected, consider 2–8 °C as a precaution after consulting the CoA.
Concentration: Commonly 10–50 mM; adjust to assay needs and solubility limits.
Technique: Warm gently (≤40 °C) and/or sonicate to aid dissolution; avoid prolonged heating. Filter if particulates remain and adsorption is acceptable.
Aliquoting: Prepare single-use aliquots to avoid multiple freeze–thaw cycles when cold storage is used.
Stability notes
Peroxide formation, acid/base lability, or photodegradation risks are unknown for this specific item; review SDS/CoA. If issues are encountered, handle under inert atmosphere or reduced light as appropriate.
Structure & Identity
Concise overview of identity attributes available for this Moligand-series screening compound.
Item-specific (Product Data)
SKU: I611136
Product Name: IQM-97423
Grade/Purity: Moligand™
CAS: I611136 (catalog identifier; not a standard CAS RN)
PubChem CID: 11757476 (as provided)
InChIKey: 167409 (format appears non-standard for an InChIKey; refer to CoA/Spec Sheet)
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
2D/3D structure, functional groups, ring systems, stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.
Notes on identifiers (general)
InChIKey values are typically 27 characters with hyphens; the provided value may be a placeholder. For unambiguous registration, use the PubChem CID link-out and the CoA/SDS identifiers.
If using cheminformatics workflows (e.g., substructure search, docking), obtain the definitive SMILES/SDF from the CoA or request from technical support.
Synthetic Utility
IQM-97423 is supplied as a Moligand™ screening compound rather than a synthetic building block or reagent.
Item-specific scope
No functional groups, reactivity handles, or protecting-group strategies are specified for this item; consult the CoA for structural details before any derivatization or conjugation work.
General considerations if synthetic modification is contemplated (non-item-specific)
Once structure is known, identify vectors for SAR (e.g., para-aryl substitution, heteroatom alkylation/acylation, linker attachment points) and assess liabilities (acid/base sensitivity, redox activity).
Establish robust analytical tracking (HPLC, LC-MS, qNMR) for analog series to ensure SAR conclusions are based on well-characterized materials.
If a salt form is desired to improve solubility, confirm pKa values and form counterions accordingly, ensuring no interference with intended assays.
Limitations
Without structural information, no specific named transformations or coupling strategies can be recommended for this item.
Target Specificity
No target or binding specificity information is provided for IQM-97423.
Item-specific (Product Data)
Antigen/Target: Not specified for this item; refer to CoA/Spec Sheet.
Species reactivity, clone/isotype (if antibody): Not applicable; this item is a small molecule.
Guidance
Determine target engagement empirically using biochemical or biophysical assays. If a known target is identified via screening, document KD/IC50/EC50 and selectivity versus close homologs.
For chemoproteomics approaches, structural information is required to design capture probes or photoaffinity tags.
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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