QUALITÉ & PURETÉMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Moligand™ Moligand™ pour les flux de travail chromatographiques et analytiques sensibles nécessitant une interférence de ligne de base minimale.
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Stockage & expédition
Room temperature Expédition . Consultez le COA spécifique au lot pour les spécifications exactes.
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Documents qualité
SDS, COA, fiche technique et fiche de spécifications disponibles au téléchargement. COA spécifique au lot accessible via la recherche par numéro de lot.
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Preuve documentaire
Cité dans 0 publications à comité de lecture couvrant la chromatographie, la synthèse organique et les réactions de couplage croisé.
This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside triphosphates. These are pyrimidine nucleotides with a triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.
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.
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
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Application Protocols
Only tested, item-specific application protocols may be listed here. The Product Data do not provide protocols or validated applications for MRS2698.
Tested applications, recommended concentrations/dilutions, and positive controls: Not specified for this item; refer to CoA/Spec Sheet.
General reminder:
Develop assay-specific SOPs in-house and validate concentration ranges, solvent tolerances, and incubation times empirically before routine use.
Biological Roles
Item-specific biological target and mode of action for MRS2698 are not provided in the Product Data. The following notes are general to small-molecule receptor ligands used in research.
General context (biochemistry, literature):
Many MRS-series compounds were developed as ligands for purinergic signaling receptors (e.g., adenosine receptors), which modulate intracellular second messengers such as cAMP and Ca2+ through GPCR pathways. Confirm the exact target of MRS2698 from CoA/authoritative databases before experimental use.
Ligands can function as agonists, partial agonists, inverse agonists, or antagonists; the net cellular effect depends on receptor subtype expression, coupling, and assay conditions.
Selectivity profiling across receptor subtypes is critical to interpret phenotypes; off-target activity at micromolar concentrations is common for research ligands.
Experimental considerations:
Use concentration–response curves with appropriate vehicle controls to define potency (EC50/IC50) and efficacy.
Apply kinetic assays when feasible to resolve binding residence times, which often correlate with functional outcomes.
Conduct orthogonal validation (genetic knockdown/knockout or use of structurally unrelated ligands) to support mechanistic conclusions.
Caveat:
Do not ascribe specific biological roles or therapeutic relevance to this item without verified target and activity data from the CoA or peer-reviewed literature. This product is for research use only.
Buffer Applications
This product is a small-molecule research ligand and is not a buffering agent. No buffer system applicability is specified.
Practical note (general):
When preparing assay buffers that will receive DMSO-based ligand stocks, ensure the buffer composition tolerates the final cosolvent level (typically 0.1–1% v/v DMSO). Include matched vehicle controls.
If precipitation occurs on dilution, adjust ionic strength, add minimal non-ionic surfactant (e.g., 0.01–0.05% Tween 20) or cyclodextrin, or increase DMSO slightly within assay tolerance.
Item-specific buffer roles: Not applicable.
Green Alternatives
As a small-molecule research ligand, MRS2698 is not a solvent or common reagent that typically has “green substitution” options in reactions. Nevertheless, greener practices apply to its handling and use in assays.
Greener practices (general recommendations):
Solvent minimization: Prepare the highest practical stock concentration in DMSO to reduce total DMSO volume introduced into assays and waste streams.
Alternate solvents: If DMSO is problematic for your biology, consider aqueous-compatible cosolvent systems (e.g., 10–20% PEG 400 or 2-hydroxypropyl-β-cyclodextrin inclusion, literature context) after confirming compound compatibility and assay tolerance.
Micro-scale assays: Use miniaturized plate formats (384/1536-well) to reduce compound consumption and hazardous waste.
Energy efficiency: Favor room temperature handling and short sonication bursts for dissolution rather than prolonged heating.
Comparison of common cosolvent systems (general, not item-specific):
DMSO: Broad solvency; potential biological interference at >1–2% v/v.
PEG 400: Enhances solubility for lipophilic compounds; viscosity can affect liquid handling; typically used at 1–10% v/v.
HPCD/HP-β-CD: Can complex hydrophobes to enhance aqueous delivery; may interact with membranes/proteins; titrate to minimal effective level.
Use high-recovery vials and low-retention tips to minimize material loss and repeated dissolutions.
Pharmaceutical Uses
No pharmacopeial status, excipient role, or manufacturing application is provided for this item. MRS2698 is offered strictly for research use only.
General R&D context (non-clinical):
Small-molecule ligands of defined targets are frequently used as reference standards or tool compounds during drug discovery screening, assay qualification, and SAR studies.
In preformulation research (laboratory only), such compounds may serve as surrogates to optimize analytical methods (e.g., LC–UV/MS), but they are not intended for human or veterinary use.
Compliance note:
Do not use in APIs, clinical, diagnostic, or food applications. No GMP or pharmacopeial monograph is implied by the Product Data. For any regulated use, obtain appropriate-grade material and documentation.
Physical Properties
Item-specific physico-chemical data are not provided in the Product Data for MRS2698.
Appearance: 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 applicable/not typically used (small-molecule ligand; decomposition likely before boiling). Specific value not specified for this item; refer to CoA/Spec Sheet.
Density: Not specified for this item; refer to CoA/Spec Sheet.
Solubility: Not specified for this item; refer to CoA/Spec Sheet.
logP/logD, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.
General laboratory guidance for screening ligands (not item-specific; literature/practice):
Stock solutions are commonly prepared in anhydrous DMSO at 10–50 mM, then diluted into assay buffers to ≤1% DMSO v/v to minimize solvent effects.
If the compound contains ionizable groups (common in GPCR ligands), solubility can be sensitive to pH. Perform a small pH–solubility scout in buffer (pH 5–8) if precipitation is observed.
Light/air sensitivity varies across scaffolds; handle under low light and minimize open-vial time until item-specific stability is known.
Analytical checks (general):
Rapid solubility screens: 1 mg/mL in DMSO, MeOH, ACN, and aqueous buffer with 0.5–1% DMSO. Inspect for turbidity/precipitation after 30–60 minutes.
LC–UV chromatogram at multiple wavelengths (210/254/280 nm) can identify UV transparency windows for downstream assays if needed.
Quality and Grades
Grade/Purity designation: Moligand™ (as listed in Product Data). This typically denotes a research-grade small-molecule ligand intended for screening, target validation, and medicinal chemistry workflows. Exact purity specifications and analytical controls for this lot are not provided here and should be confirmed on the CoA.
What Moligand™ commonly implies (general explanation):
Supplied for research use only; not for human or veterinary use.
Emphasis on identity confirmation (e.g., LC–MS), chromatographic purity, and stability suitable for assay reproducibility. UV background and residual solvents are typically controlled to enable bioassays, though exact thresholds are batch-specific.
Item-specific notes:
Purity percentage, residual solvent limits, water content, metal content, and stabilizers: Not specified for this item; refer to CoA/Spec Sheet.
Appearance and form (solid/film/solution): Not specified for this item; refer to CoA/Spec Sheet.
Recommended incoming QC (user practice):
Verify identity by LC–MS against the expected [M+H]+ within ±5 ppm (HRMS) or appropriate unit-mass accuracy (LRMS).
Check HPLC purity on two orthogonal methods (e.g., C18 and phenyl-hexyl) to identify co-eluting impurities that could confound assays.
Record hygroscopicity or deliquescence behavior during first opening to inform storage and handling SOPs.
Reaction and Applications
This product is positioned as a research ligand (small-molecule in a compound library) rather than a synthetic reagent. No manufacturer application notes are provided in the Product Data.
Research use cases (general, non-item-specific):
In vitro target engagement studies (e.g., radioligand displacement, fluorescence polarization, thermal shift), where MRS-series compounds often serve as reference ligands. For MRS2698 specifically, confirm target and binding mode from CoA/literature before use.
Cell-based functional assays (e.g., cAMP, Ca2+ flux, β-arrestin recruitment) following preparation of DMSO stocks; include vehicle controls and evaluate solvent effects.
Structure–activity relationship (SAR) panels: MRS-series analogs are frequently evaluated side-by-side to profile potency/selectivity windows across receptor subtypes.
Analytical/assay tips (general):
Establish a dilution series spanning ≥4 logs around the expected potency to accurately define EC50/IC50 in agonism/antagonism assays.
Confirm compound integrity post-assay by LC–MS to rule out degradation or adsorption.
Use counter-screens (off-target panels or orthogonal readouts) to validate specificity claims before data publication.
Note: If you intend to use this compound in chemical synthesis, be aware that ligand-style scaffolds are often multi-functional and may not perform as predictable building blocks. No synthetic application is specified for this item.
Reaction Conditions
Not applicable in the conventional synthetic sense. The Product Data do not specify any use of MRS2698 as a reagent or catalyst, and no reaction conditions are provided.
Stock preparation: Dissolve in anhydrous DMSO to 10–20 mM; verify complete dissolution visually and by LC–UV if assay-critical.
Working solutions: Dilute into assay buffer maintaining 0.1–1.0% DMSO v/v; pre-warm to ambient temperature to reduce precipitation.
Incubation: Equilibration times in binding/functional assays typically range from 10 to 60 minutes depending on target kinetics; determine empirically.
Light/temperature: Protect from strong light and unnecessary heat to limit degradation.
Note: The above are general practices for small-molecule ligands and are not item-specific specifications. For any chemical reaction usage, no guidance is available for this item.
Safety and Handling
Hazard classification and GHS details are not included in the Product Data for MRS2698.
Signal word: Not specified for this item; refer to SDS.
H-statements, Pictograms, GHS Classification: Not specified for this item; refer to SDS.
General laboratory safety (defer to SDS for authoritative guidance):
Use in a certified chemical fume hood; avoid inhalation of dust or aerosols.
Recommended PPE: lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Replace gloves frequently when working with DMSO stocks due to enhanced dermal transport.
Avoid contact with skin/eyes; wash thoroughly after handling.
Storage incompatibilities: Keep away from strong oxidizers and strong acids/bases until specific compatibility is known (general best practice for organic research compounds).
First-aid overview (general):
Inhalation: Move to fresh air; seek medical attention if symptoms persist.
Skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing; obtain medical advice.
Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
Spill and disposal:
Small spills: Absorb with inert material (e.g., vermiculite), collect in a sealed container for disposal.
Waste: Dispose in accordance with institutional and governmental regulations for organic chemical waste.
Note: Always consult the product-specific SDS and CoA for definitive hazard, exposure limits, and emergency procedures before use.
Solvent Selection
Item-specific solubility data are not provided. The following guidance reflects common practice for small-molecule screening ligands and should be verified experimentally for MRS2698.
Primary solvent for stocks: DMSO (anhydrous). Start with 10–20 mM stocks; adjust based on observed solubility.
Secondary organic solvents: DMF and methanol can be used for initial dissolution prior to dilution into aqueous buffers when DMSO is insufficient (general guidance).
Aqueous compatibility: Many ligands precipitate upon dilution into buffer if the final DMSO content is too low. Maintain 0.1–1.0% DMSO in the final assay medium; perform a precipitation check at working concentrations.
Polarity class: Unknown for this specific item; verify experimentally. As a precaution, screen dissolution in DMSO, MeOH, ACN, and PBS + 0.5% DMSO.
Comparison (general considerations):
DMSO: Highest solvency for diverse scaffolds; may affect cell viability or enzyme activity above ~1–2% v/v.
DMF: Strong solvent; higher toxicity and hygroscopic; prefer DMSO when possible.
MeOH/EtOH: Facilitate cosolvency but can denature proteins; keep ≤1% v/v in bioassays if used.
Practical tips:
Warm gently (30–40°C) and vortex/sonicate to aid dissolution; avoid prolonged heating.
Filter 0.2 µm if particulate remains (confirm no adsorption losses).
Document solvent composition in ELN to ensure assay reproducibility.
Storage and Reconstitution
Item-specific storage from Product Data:
Storage conditions: Room temperature.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
Appearance/form: Not specified for this item; refer to CoA/Spec Sheet.
Reconstitution (general guidance; not item-specific):
Prepare a concentrated stock in high-purity, anhydrous DMSO (e.g., 10–20 mM). Vortex/sonicate briefly to ensure full dissolution. If insoluble, trial DMF or MeOH as co-solvents, then back-dilute into DMSO.
Filter (0.2 µm PTFE) if particulates persist. Avoid prolonged heating.
Aliquot stocks into inert, low-bind vials; flush headspace with inert gas if literature suggests air sensitivity (verify for this item).
Storage best practices (general):
If long-term storage is required, consider keeping DMSO stocks at −20 to −80°C, protected from light and repeated freeze–thaw; use single-use aliquots.
Record opening date and any observed changes (color, precipitation) to inform re-ordering and QC.
Research Use Note:
For research use only. Consult the CoA and SDS for definitive item-specific stability and handling instructions.
Structure and Identity
Brief overview: This catalog entry is a small-molecule screening ligand designated MRS2698. Item-specific structural identifiers are not provided in the Product Data.
CAS: Not specified for this item; refer to CoA/Spec Sheet.
CID: 16116566 (literature identifier; verify against CoA)
InChIKey: Not specified for this item; refer to CoA/Spec Sheet. (Product Data lists “371192,” which is not a valid InChIKey; consult CoA.)
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, literature context):
MRS-series ligands are typically heteroatom-rich, aromatic/heteroaromatic small molecules designed for GPCR binding studies (general chemistry knowledge). Specific ring systems, stereochemistry, and functional groups for MRS2698 should be confirmed from the Certificate of Analysis.
2D structure description (applicability note):
A precise 2D description requires a verified structure. As the structure is not included in the Product Data, please consult the CoA/SDS or authoritative databases before drawing or annotating the compound.
Identity verification best practices (general guidance):
Confirm by LC–MS (m/z and isotopic pattern), 1H/13C NMR (if material quantity permits), and HPLC purity in your lab if assay-critical.
Cross-check supplier identifiers (SKU, batch/lot number) with internal ELN entries to maintain chain-of-identity for screening results.
Synthetic Utility
This catalog item is positioned as a finished small-molecule ligand rather than a synthetic intermediate. No functional-group-specific reactivity or building-block applications are provided in the Product Data.
General guidance if derivatization is contemplated (non-item-specific):
Without a verified structure, synthetic planning cannot proceed reliably. Obtain the structural formula, functional group map, and analytical data (CoA/SDS or primary literature) before attempting any transformations.
Tool compounds sometimes contain multiple aromatic/heteroaromatic moieties and basic sites; late-stage diversification can require chemoselective protection strategies and mild cross-coupling conditions.
If biotinylation, fluorophore tagging, or immobilization is desired for probe development, identify solvent-exposed positions from SAR literature to avoid potency loss.
Bottom line: No validated synthetic utility is claimed for this item; treat it as a research ligand for biological/biochemical assays.
Target Specificity
Only item-specific information may be listed here. The Product Data do not specify any biological target, receptor subtype, or selectivity profile for MRS2698.
Target, mechanism, species selectivity, and potency: Not specified for this item; refer to CoA/Spec Sheet and peer-reviewed literature for verification before experimental claims.
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 M612054. InChIKey UWTUUIWWVPWHAA-XVFCMESISA-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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