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 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.
External Descriptors
amine
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.
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular
483.000 g/mol
XLogP3
8.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
8
Exact Mass
482.159 Da
Monoisotopic Mass
482.159 Da
Topological Polar Surface Area
53.600 Ų
Heavy Atom Count
33
Formal Charge
0
Complexity
699.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Calculadoras de soluciones
Molarity Calculator
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Dilution Calculator
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Reconstitution Calculator
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Application Protocols
No manufacturer-validated protocols are provided for this item. The following are general, non-item-specific guidelines for handling small-molecule ligands in discovery assays.
Stock preparation
Prepare a concentrated stock (e.g., 10–50 mM) in anhydrous DMSO. Record exact concentration, solvent lot, and date. Filter through 0.2 µm PTFE if particulates persist.
Aliquot to single-use vials or plates to minimize freeze–thaw cycles.
Assay setup (examples)
Biochemical enzyme or receptor assay: Serially dilute the DMSO stock in assay buffer to achieve a final DMSO content ≤1–2% v/v. Include vehicle controls matched for solvent.
Cellular assay: Verify tolerability of final solvent level in your cell line. Confirm compound solubility in complete media and inspect for precipitation after incubation.
Binding assay: For radioligand displacement or SPR/BLI, confirm absence of nonspecific aggregation by including detergent (e.g., 0.01–0.05% Tween-20) and by running detergent-sensitive control assays.
Data quality controls
Run full concentration–response curves with technical/biological replicates.
Include orthogonal readouts or counter-screens to exclude assay interference.
All parameters should be optimized for the specific target and readout; verify compound identity and purity with your lot’s CoA prior to critical experiments.
Biological Roles
Item-specific biological annotations are not provided in the product data. The following context is offered as general literature information and should not be construed as product specifications.
Literature context: SSR125543A is widely cited as a small-molecule tool compound investigated in receptor pharmacology studies. Researchers use such ligands to interrogate signaling pathways, receptor occupancy, and downstream transcriptional responses in cellular or tissue models.
Mechanistic investigation: In typical workflows, ligands of this class are assessed via binding assays (radioligand displacement or SPR/BLI), second-messenger readouts, and functional antagonism/agonism in recombinant or native systems.
ADME considerations (general): For in vitro studies, solubility, nonspecific binding to plastic/protein, and chemical stability in incubation media can strongly influence apparent potency. For ex vivo studies, protein binding and tissue partitioning can dominate observed effects.
Off-target assessment: Profiling against a representative panel (e.g., GPCRs, ion channels, kinases, transporters) is a standard practice to contextualize selectivity claims from the literature. Counter-screens for assay interference (fluorescence, redox, aggregation) are recommended.
Important: No target specificity, potency, or selectivity values are specified for this item. Consult primary literature using the CAS (752253-39-7) and CID (5282340), and verify findings with your in-house assays.
Buffer Applications
This product is a small-molecule research ligand rather than a buffering reagent.
Not typically applicable: It does not function as a pH buffer or conductivity modifier in standard biochemical workflows.
Practical note: When preparing assay buffers for use with small-molecule ligands, choose buffering systems compatible with your biological target (e.g., HEPES, PBS, TRIS) and validate compound solubility and stability in the selected buffer with the intended co-solvent percentage.
No item-specific buffer recipes or pH ranges apply to this product.
Green Alternatives
Green chemistry considerations are not typically applied to the use-phase of screening ligands, which are handled at milligram-to-micromole scales. Nevertheless, you can reduce environmental impact through solvent and process choices.
Preferred stock solvent: Use DMSO at minimal volumes and prepare concentrated stocks to reduce packaging and waste.
Aqueous assay media: Favor buffered aqueous systems with the lowest feasible organic co-solvent percentage consistent with solubility.
Solvent selection hierarchy (general): Water > bio-based alcohols (e.g., ethanol) > acetonitrile ≈ isopropanol > DMF > DMSO > chlorinated solvents. Select the least hazardous solvent compatible with your assay.
Waste minimization: Aliquot stocks to extend shelf life and reduce discard due to freeze–thaw degradation. Combine compatible wastes to minimize container count.
Energy: Room-temperature storage for this item is beneficial from an energy perspective; avoid unnecessary refrigeration unless your stability data indicate otherwise.
Because the specific structure and properties are not provided here, no compound-specific greener substitutes can be recommended. If your workflow allows, consider in silico triage to prioritize ligands with comparable activity but improved physicochemical profiles for aqueous handling.
Pharmaceutical Uses
This product is supplied strictly for research use only. No clinical, diagnostic, or therapeutic uses are claimed or supported.
In discovery settings, small-molecule ligands are sometimes formulated for in vitro or ex vivo studies as DMSO stock solutions, diluted into aqueous buffers or culture media immediately before use.
Excipients such as cyclodextrins, PEGs, or nonionic surfactants are occasionally explored in preclinical formulation research to improve apparent solubility; applicability is compound- and study-specific.
Regulatory and compendial status
No pharmacopeial monograph or excipient designation is provided for this item.
GMP status is not indicated. For any work requiring regulated-grade materials, obtain appropriate documentation and consider alternate sourcing.
Item-specific note
No formulation guidance, dosage forms, or stability-indicating methods are specified for this product; refer to your internal development SOPs if engaging in preclinical research.
Physical Properties
Only limited item-specific physical data are provided for this product.
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.
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.
Refractive index: Not applicable/Not specified for this item; refer to CoA/Spec Sheet.
Solubility: Not specified for this item; refer to CoA/Spec Sheet.
Literature/general guidance (for small-molecule research ligands; not item specifications)
Solubility practice: Many screening ligands are prepared as 10–50 mM stocks in anhydrous DMSO and diluted into assay buffer immediately prior to use to limit precipitation.
pKa/logP: Values are ligand-specific and should be obtained from authoritative databases for SSR125543A; verify against lot documentation if used for quantitative work.
Practical notes
If solid: determine approximate solubility by stepwise DMSO addition and vortex/sonication; record concentration at first clear solution.
If solution is required in aqueous media: use co-solvent strategies (e.g., DMSO ≤1–2% final, plus buffer containing 0.01–0.1% nonionic surfactant) and confirm clarity across assay conditions.
Quality and Grades
Grade/Purity for this item: Moligand™ (item-specific)
What Moligand™ implies (general explanation)
Moligand™ denotes a screening-library grade small molecule intended for discovery and mechanistic research workflows. Emphasis is placed on identity confirmation and suitability for biochemical/cellular assays rather than on fine chemical process specifications (e.g., UV cutoffs or trace metal limits).
Typical controls for this class include analytical identity (e.g., NMR/LC–MS), assessment of major impurities, and documentation suitable for high-throughput screening or probe validation. Exact acceptance criteria are lot-dependent.
What is and is not specified for this item
Purity percentage, residual solvents, water content, stabilizers, and assay-related specifications: Not specified for this item; refer to CoA/Spec Sheet.
Practical guidance
For quantitative biophysical or medicinal chemistry applications, request and review the lot-specific CoA and, where appropriate, perform in-house orthogonal QC (e.g., LC–MS purity check in your assay mobile phase, confirmatory NMR in your solvent system).
For screening collections, document plate mapping and freeze–thaw counts of DMSO stocks to mitigate degradation artifacts. Aliquoting to minimize freeze–thaw is recommended.
If low-UV work (HPLC detection at 210–230 nm) or elemental sensitivity (ICP-MS) is critical, verify that the Moligand™ lot meets your thresholds before use.
Reaction and Applications
This product is supplied as a research ligand and is not primarily intended as a synthetic reagent or catalyst.
Synthetic reaction usage: Not typically applicable. No manufacturer application guidance is provided for use in named reactions or as a building block.
Assay/application context (general): Small-molecule ligands of this class are often used in binding assays, functional pharmacology (e.g., GPCR or enzyme modulation), chemoproteomics hit validation, and mechanistic studies. Specific target information for this item is not provided here.
If pursuing chemical biology applications
Confirm compound identity and purity suitable for your readout to avoid false positives/negatives.
Establish concentration-response relationships across multiple assay modalities (biochemical, cellular) to verify activity.
Evaluate potential assay interferences (aggregation, redox cycling, fluorescence/quenching) using counter-screens.
For any synthetic transformation involving this molecule (if relevant to your work), consult primary literature for SSR125543A and verify compatibility of its functional groups with your reaction conditions. Without item-specific structural details here, do not assume reactivity or protection/deprotection strategies.
Reaction Conditions
Not applicable in the usual sense. This product is not supplied as a reagent for chemical synthesis, and no manufacturer-supplied reaction conditions are associated with it.
If you plan to synthesize analogs or process this compound in-house (general guidance)
Solvent systems: Choose based on the known functional groups of the target scaffold (consult literature for SSR125543A). Common organic media for small-molecule manipulations include DCM, MeCN, MeOH/EtOH, DMF/DMSO, toluene.
Temperatures: Follow literature precedents for the specific transformations; avoid prolonged heating of unknown solids without a confirmed melting/decomposition profile.
Workup/purification: Flash chromatography with gradient elution (e.g., hexanes/EtOAc or MeOH/DCM), or preparative HPLC for polar/ionizable species. Monitor by LC–MS to track the parent and key impurities.
Yields: Strongly transformation-dependent; consult primary sources for the chosen route.
No item-specific catalytic systems, stoichiometries, or kinetics are provided.
Safety and Handling
Item-specific safety data are not provided here; always consult the SDS for your lot before use.
GHS and hazard data (item-specific)
Signal word: Not specified for this item; refer to SDS.
H-statements: Not specified for this item; refer to SDS.
GHS classification/pictograms: Not specified for this item; refer to SDS.
General laboratory precautions (non-item-specific best practices)
PPE: Use lab coat, safety glasses or splash goggles, and appropriate chemically resistant gloves. Avoid inhalation of dust/aerosols and skin contact.
Engineering controls: Handle powders in a fume hood or ventilated enclosure; minimize dust formation. For DMSO solutions, avoid skin contact as DMSO enhances dermal absorption of solutes.
Incompatibilities: Until specific data are confirmed, segregate from strong oxidizers and strong acids/bases. Avoid elevated temperatures beyond normal lab handling if thermal stability is unknown.
First aid (general): In case of skin/eye contact, rinse with water for at least 15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If ingested, rinse mouth; seek medical attention in all cases. Provide SDS to responders.
Spill response: Avoid raising dust; cover with inert absorbent, collect mechanically, and dispose according to institutional and regulatory requirements.
Waste handling
Treat as organic laboratory chemical waste. Do not release to drains. Follow local regulations and your institutional EHS guidance.
Solvent Selection
Item-specific solubility data are not provided. The following guidance reflects common practices for small-molecule research ligands and should be validated empirically for this item.
Primary stock solvent: Anhydrous DMSO is typically preferred due to broad solvency and biological assay compatibility at ≤1–2% v/v final.
Alternative solvents (case-dependent): DMF, ethanol, or acetonitrile can sometimes be used for stocks, but compatibility with downstream assays must be assessed. Water solubility can be limited for hydrophobic ligands.
Aqueous formulations: For working solutions, dilute the DMSO stock into buffered media (e.g., PBS, HEPES, assay-specific buffers). If precipitation occurs, consider co-solvent levels, add a nonionic surfactant (e.g., 0.01–0.1% Tween-20 or Pluronic), or warm gently and vortex.
Polarity class: Not specified for this item; refer to CoA/Spec Sheet. Many screening ligands are moderately to highly lipophilic and benefit from DMSO handling.
Dielectric constants and miscibility: Not specified for this item; consult literature if needed for modeling.
Comparison (general)
DMSO vs ethanol: DMSO offers higher solvency and is less volatile, reducing concentration drift; ethanol can be preferable for certain cell-based assays when DMSO must be minimized.
DMSO vs DMF/ACN: DMF and ACN are powerful solvents but can be less biocompatible; confirm tolerability in your system.
Always verify solubility and solution stability for the exact lot under your experimental conditions.
Storage and Reconstitution
Item-specific storage
Storage conditions: Room temperature (item-specific). Protect from moisture and direct light. Keep container tightly closed.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
Reconstitution and solution handling (general guidance for small-molecule ligands; not item specifications)
Solvent: DMSO is commonly used to prepare concentrated stocks. If aqueous stocks are required, evaluate solubility and stability empirically.
Concentration: Prepare the highest practical concentration to minimize freeze–thaw and solvent burden in assays. Document exact concentration.
Filtration: If needed, filter through a 0.2 µm PTFE membrane to remove particulates. Avoid cellulose esters when using strong organic solvents.
Stability of solutions
DMSO stocks are typically stored at −20 °C to −80 °C in sealed, low-bind containers, away from light. Track freeze–thaw cycles and discard if precipitation or discoloration occurs.
Aqueous working solutions should be prepared fresh and used promptly; many ligands exhibit reduced stability in water-containing media.
Disposal
Dispose of unused solutions and contaminated materials as organic chemical waste in accordance with institutional and regulatory procedures.
For definitive stability and reconstitution guidance, consult the lot-specific CoA/SDS.
Structure and Identity
Overview of the compound’s identity as supplied for research use.
Item name: SSR125543A (SKU: S613717)
CAS: 752253-39-7 (item-specific)
PubChem CID: 5282340 (item-specific)
InChIKey: 138475 (item-specific; note: format appears nonstandard; consult CoA/SDS for confirmation)
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 description
Functional group overview: Not specified for this item; refer to CoA/Spec Sheet.
Ring systems / heteroatoms: Not specified for this item; refer to CoA/Spec Sheet.
Stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.
Notes
SSR125543A is widely referenced in the literature as a small-molecule research ligand; structural specifics should be verified against the lot-specific documentation (CoA) accompanying this item.
For cheminformatic work, use the provided CAS and CID to retrieve a full descriptor set from public databases; reconcile with your internal specifications before use.
Synthetic Utility
Not typically applicable. This product is offered as a research ligand, not as a general synthetic building block or reagent.
General notes (if synthetic derivatization is being considered by the user)
Without item-specific structural details here, do not assume availability of handle positions for late-stage functionalization.
If derivatization is desired (e.g., biotinylation, photoaffinity tagging, fluorophore conjugation), consult primary literature for SSR125543A to identify modifiable positions that preserve activity, and confirm using SAR data.
For scale-up or custom analog synthesis, establish robust analytical methods (LC–MS, NMR, purity by area %) in your reaction solvents and define impurity specifications aligned with intended downstream use.
No named-reaction participation, protecting-group strategies, or reactivity patterns are provided for this item.
Target Specificity
Only item-specific information may be listed here.
Target/epitope: Not specified for this item; refer to CoA/Spec Sheet.
Species reactivity: Not specified for this item; refer to CoA/Spec Sheet.
Assay-validated applications: Not specified for this item; refer to CoA/Spec Sheet.
Isotype/clone (if antibody): Not applicable.
Note: While SSR125543A is discussed in the literature as a research ligand, this product entry does not define target specificity. Users should consult primary references and perform in-house validation in their biological systems.
Preguntas frecuentes
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 752253-39-7. InChIKey IEAKXXNRGSLYTQ-DEOSSOPVSA-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.
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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