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 aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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
No vendor-tested bioassay protocols are provided for this item. The following are general, non-binding guidelines for small-molecule screening use.
DMSO stock preparation (general):
Weigh the appropriate mass under dry conditions. Prepare a 10–50 mM stock in anhydrous DMSO. Mix until fully dissolved; optionally filter (0.2 µm PTFE) if particulate remains and the chemistry is filter-stable.
Plate handling:
Aliquot into low-binding tubes or assay plates to minimize adsorption. Seal plates to limit evaporation. For automated systems, equilibrate to room temperature before unsealing to reduce condensation.
Serial dilution and dosing:
Perform serial dilutions in DMSO or assay buffer with matched DMSO content. Aim for final DMSO of 0.1–1% v/v unless your assay allows otherwise. Include vehicle and positive/negative controls.
Aggregation/interference checks:
Incorporate low concentrations of nonionic detergent (e.g., 0.01–0.05% Tween-20) where compatible, use orthogonal readouts, and screen against PAINS/fluorescence interference once structure is available.
These are general recommendations; adapt to your assay format and consult the item’s CoA/Spec Sheet for any lot-specific notes.
Biological Roles
From Product Data (item-specific):
No biological function, pathway mapping, or target annotation is provided for AS1535907.
General note:
As a Moligand™ small-molecule library member, AS1535907 is intended for discovery research and screening. Any biological role, if present, would be context- and target-dependent and must be established experimentally by the user.
Practical guidance (general knowledge):
If pursuing target annotation, apply chemoproteomics, thermal shift assays (CETSA/DSF), or ligand-observed NMR to infer binding, followed by orthogonal biochemical validation.
For phenotypic observations, incorporate counterscreens for cytotoxicity and assay interference, and use control compounds to benchmark potency windows.
No claims of biological activity, safety, or efficacy are made for this product. It is supplied strictly for research use only.
Buffer Applications
This product is a small organic compound and is not a buffering reagent. No dedicated buffer systems apply.
Guidance (general knowledge):
When dosing into biological buffers (e.g., PBS, HEPES, Tris), pre-dissolve in a compatible co-solvent (commonly DMSO) and ensure the final co-solvent percentage is within your assay’s validated tolerance.
If the compound contains ionizable groups (once structure is known), pH can influence solubility and apparent potency; consider pH-matched controls and Good’s buffers within pH 6–8 for biochemical assays.
Green Alternatives
While DMSO is the de facto stock solvent for screening compounds, greener choices or operational tweaks can reduce environmental and safety burdens. Selection must be balanced against solubility and assay compatibility.
Aqueous ethanol (e.g., 20–50% v/v) can solubilize many mid-polar chemotypes and is less problematic than dipolar aprotics, though evaporation control is needed.
Cyrene (dihydrolevoglucosenone) and PolarClean are emerging dipolar aprotic alternatives to DMF/NMP; compatibility with your assay and compound must be verified.
PEG 300/400 or propylene glycol can serve as co-solvents for stock concentrates with improved safety profiles relative to DMF/NMP.
Operational green tweaks:
Use microscale formats and sealed plates to minimize solvent use and VOC emissions.
Prefer isocratic, water-rich LC methods when feasible; adopt shorter columns and lower flow rates.
Comparison snapshot (general; not item-specific):
DMSO: excellent solvency, miscible with water, moderate EHS profile; broadly accepted in HTS.
Acetonitrile: low viscosity, good LC compatibility; derived from petrochemical sources; flammable.
DMF/NMP: strong solvency but higher EHS concerns; consider avoiding when alternatives work.
Always validate green alternatives empirically for solubility, stability, and assay signal integrity.
Pharmaceutical Uses
No pharmacopeial status or excipient role is provided for this item.
Context (general knowledge):
Screening compounds like AS1535907 are supplied for discovery research and are not intended for human or veterinary use, diagnostics, or as drug substances/excipients.
If a lead emerges from research with this chemotype, subsequent development would require comprehensive CMC, safety, and regulatory assessments independent of this research-grade material.
No therapeutic or clinical claims are made for this product.
Physical Properties
Item-specific property data are not disclosed in the current Product Data. Values below are placeholders for documentation guidance only and must not be treated as specifications.
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.
Key physicochemical parameters (literature/computed — not item specifications):
Melting point (solid) or boiling point (liquid): Not specified for this item; refer to CoA/Spec Sheet.
Density: 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.
Aqueous solubility: Not specified for this item; refer to CoA/Spec Sheet.
Practical handling notes (general knowledge for screening compounds; not item-specific):
Many drug-like screening molecules are formulated as 10–50 mM DMSO stocks due to broad solubility; water solubility varies with ionizable groups.
For kinetic/biophysical assays, confirm actual solubility in the assay buffer at the intended final DMSO percentage (commonly 0.1–1% v/v) to avoid precipitation/artifacts.
If salt form is unknown, perform a quick pH–solubility check (buffers spanning pH 5.5–8.0) and consider cosolvent screening (DMSO, DMF, acetonitrile, ethanol) as needed.
Always rely on the item’s CoA/Spec Sheet for definitive physicochemical data.
Quality and Grades
From Product Data (item-specific):
Grade/Purity: Moligand™
Category Path: 全部 / 可售 / 小分子和化合物库
What Moligand™ implies (general description; not item-specific specifications):
Moligand™ designates small molecules curated for ligand-like properties and screening utility. Lots are typically supported by identity confirmation (e.g., LC–MS and/or NMR) and supplied in research-use packaging suitable for HTS/medchem workflows.
Emphasis is commonly placed on structural integrity (salt form, stereochemistry), minimal residual solvents, and consistency across aliquots/plates to support reproducible hit triage and SAR.
UV background and chromatographic behavior may be characterized to aid in compatibility with common assay readouts; request documentation if your assay is spectroscopically sensitive.
How to use this information practically:
Before registering into your screening collection, reconcile the compound’s registry identifiers (CAS, CID) with the CoA to confirm exact structure, salt/solvate state, and lot-specific purity method.
For analytical QC on receipt, a quick LC–MS check under your house method is recommended to confirm RT and mass congruence with your internal reference.
Note: Numerical specifications (e.g., purity %, water, metals, UV cutoff) are not provided here and should be taken exclusively from the item’s CoA/Spec Sheet.
Reaction and Applications
From Product Data (item-specific):
Manufacturer Applications: Not specified for this item; refer to CoA/Spec Sheet.
Research Use Note: For research use only.
Typical applications for Moligand™ small molecules (general knowledge):
High-throughput and medium-throughput screening (HTS/MTS) as test ligands in enzymatic, binding, or cell-free assays.
Orthogonal confirmation of hits across multiple assay modalities (biochemical, biophysical), including use in counterscreens to rule out assay interference.
Early structure–activity relationship (SAR) exploration and fragment-to-lead or lead-hopping exercises when chemotype and substitution patterns are disclosed.
Probe development funnels: initial phenotypic hits can be prioritized for follow-up medicinal chemistry once the structure is confirmed and IP constraints are assessed.
Practical considerations:
Implement PAINS/REOS/aggregation filters once structure data are available; verify redox activity and fluorescence interference when using optical readouts.
Confirm purity and identity by your in-house LC–MS method prior to hit triage; minor impurities can confound SAR if unnoticed.
Titrate DMSO tolerance of your assay; establish an internal solubility screen to identify precipitation limits in the operational buffer.
Because structural details are not provided here, no specific synthetic or mechanistic applications can be outlined for this item.
Reaction Conditions
Specific reaction conditions cannot be recommended without knowing the structure and functional groups of AS1535907.
General handling for solution preparation (applicable to screening use):
Prepare a 10–50 mM master stock in DMSO. Vortex thoroughly; sonicate briefly if needed. Verify complete dissolution visually and by LC–MS if critical.
For assay dosing, dilute the DMSO stock into buffer or media to the desired final concentration, keeping DMSO typically at 0.1–1% v/v. Mix gently to avoid localized precipitation.
For stability, evaluate short-term bench-top stability (4–24 h) and autosampler stability in your LC method if quantification is required.
If synthetic transformations are contemplated (general guidance only):
Choose conditions based on confirmed functional groups (e.g., cross-coupling for aryl halides; amide coupling for acids/amines; reductive amination for carbonyl/amine pairs). Optimize solvent, base, and temperature accordingly once structure is known.
Please refer to the CoA/Spec Sheet for any lot-specific preparation notes.
Safety and Handling
Safety details are limited in the current Product Data. Use prudent laboratory precautions and consult the SDS for authoritative information.
From Product Data (item-specific):
GHS Classification: Not specified for this item; refer to SDS.
Signal Word: Not specified for this item; refer to SDS.
H-Statements/Pictograms: Not specified for this item; refer to SDS.
Storage Conditions: Room temperature.
General laboratory precautions (general knowledge):
Handle in a fume hood; avoid inhalation of dust/aerosols and contact with skin/eyes. Wear lab coat, safety glasses, and appropriate chemically resistant gloves.
If preparing DMSO or DMF solutions, note that these solvents enhance dermal absorption; avoid skin contact and promptly clean spills.
Incompatibilities are structure-dependent; as a precaution, keep away from strong oxidizers, strong acids/bases, and ignition sources until specific reactivity is known.
First aid (overview; defer to SDS): rinse eyes/skin with water for at least 15 minutes upon contact; remove contaminated clothing; seek medical attention if irritation persists; if inhaled, move to fresh air; if ingested, rinse mouth and obtain medical advice.
Spill/cleanup: absorb small spills with inert material (vermiculite/diatomaceous earth); avoid generating dust; dispose via approved chemical waste routes.
Always obtain and review the product-specific SDS before use, especially for scale-up or aerosol-generating operations.
Solvent Selection
Because the precise structure is not disclosed in the Product Data, solvent choice should follow general practices for library compounds.
General solvent strategy (general knowledge):
Primary stock solvent: DMSO is the default for most screening compounds due to broad solvency and assay compatibility at 0.1–1% v/v.
Secondary solvents for insoluble chemotypes: DMF, NMP, acetonitrile, ethanol, isopropanol. For aqueous workup, incorporate co-solvent or mild pH adjustment if ionizable groups are suspected.
For biophysical assays (SPR, MST, DSF), ensure matched DMSO in sample/reference channels and verify aggregation using detergent screens if needed.
Polarity/miscibility notes (general):
DMSO and DMF are fully miscible with water and many organics, easing serial dilution. Acetonitrile offers low viscosity and rapid evaporation for LC workflows.
Practical tips:
Prepare a 10–50 mM DMSO master stock; vortex and, if needed, sonicate briefly. Filter through 0.2 µm PTFE if particulate persists and chemistry is filter-stable.
Avoid repeated freeze–thaw of solutions; aliquot into inert, low-binding tubes or plates. Confirm absence of precipitation upon dilution into assay buffer.
If your application requires strictly aqueous solutions or specific pH, request the structure or CoA to anticipate ionization/solubility behavior.
Storage and Reconstitution
From Product Data (item-specific):
Storage Conditions: Room temperature.
Shipped In: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Storage guidance (general knowledge aligned to item-specific condition):
Keep container tightly closed in a dry, well-ventilated place at room temperature. Protect from excessive humidity, heat, and light. Use desiccant where appropriate.
For long-term archiving of solutions, prepare aliquots to avoid repeated freeze–thaw; although the solid is stored at room temperature per Product Data, DMSO or aqueous stocks are typically stored refrigerated or frozen (e.g., 2–8°C or −20°C) to limit degradation. Validate solution stability under your conditions.
Reconstitution (general):
For screening, reconstitute in anhydrous DMSO to a convenient master concentration (e.g., 10–50 mM). If water or buffer is required, add gradually with mixing to prevent precipitation and maintain a controlled final DMSO percentage.
Record preparation date, concentration, and solvent on the container/plate map. Check for crystallization or color change before use; assay a small aliquot by LC–MS if critical.
Always defer to the CoA/Spec Sheet and SDS for lot-specific storage and handling instructions.
Structure and Identity
Brief overview: AS1535907 (SKU A607752) is listed as a small-molecule screening compound in our Moligand™ collection. Structure-specific identifiers are limited in the current Product Data.
From Product Data (item-specific):
Product Name: AS1535907
SKU: A607752
CAS: 504402-21-5
PubChem CID: 10200069
InChIKey: 9870 (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.
Structure description:
2D/3D structural features, functional groups, ring systems, and stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.
Identity notes (general):
For small-molecule library members, identity is typically supported by LC–MS and/or 1H NMR data. If you require structural verification files (SDF/MOL, SMILES, InChI), request the latest CoA/Spec Sheet for this specific lot.
If working with cheminformatics tools, use the CAS and CID above as primary retrieval keys; reconcile against supplier CoA to confirm salt form, stereochemistry, and exact connectivity prior to screening or SAR registration.
Synthetic Utility
Structural details necessary to define synthetic utility (functional groups, handles, stereochemistry) are not available in the Product Data.
General perspective (for library compounds):
If structural information confirms accessible handles (e.g., aryl halide, boronate, carboxylate, amine), the compound could serve as a reference standard, a diversification point for SAR, or a comparator in matched molecular pair analyses.
Without confirmed functionality, this item is best treated as a terminal screening entity rather than a synthetic intermediate.
Practical suggestions (general knowledge):
Upon obtaining the structure, consider quick derivatization routes (amide coupling, SNAr, Suzuki–Miyaura, Buchwald–Hartwig) to explore SAR if IP permits.
Maintain provenance by linking each derivative back to the parent registry and CoA.
Until the structure is confirmed via CoA/Spec Sheet, avoid planning synthetic campaigns based on assumptions.
Target Specificity
No target, pathway, or selectivity information is provided for AS1535907 in the Product Data.
Guidance (general knowledge):
Treat as a non-annotated screening compound. Establish any target specificity empirically using biochemical assays, profiling panels, or broad target deconvolution methods (e.g., affinity capture, CETSA, CRISPR-based chemogenomics where appropriate).
Only item-specific target data from the CoA/Spec Sheet should be considered authoritative if available.
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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