ASN04421891 - Moligand™, ≥98% , Agonist of GPR17, CAS No.570365-12-7, Agonist of GPR17

CAS: 570365-12-7 Cat. No.: A607772 分子式: C₃₀H₃₂N₆O₃ 分子量: 524.61

GRADE & PURITY Moligand™, ≥98%

Synonyms

ASN 04421891;ASN-04421891

Storage

Room temperature

概要

ASN04421891 is a potent GPR17 receptor modulator, with an EC 50 of 3.67 nM in [35S]GTPγS binding assay. ASN04421891 is promising to be used for neurodegenerative diseases research

Specifications

同義語

ASN 04421891;ASN-04421891

仕様と純度

Moligand™, ≥98%

保管条件

Room temperature

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of GPR17

純度

≥98%

名前と識別子

• 分子量: 524.61

関連ターゲット（人間）

GPR17 Tchem Uracil nucleotide/cysteinyl leukotriene receptor (1 Activities)

Discover Target: GPR17

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Application Protocols

No product-specific, validated protocols are provided in this listing. The following is general guidance for small-molecule screening and is not item-specific.

Example workflow (general)

• Stock preparation: Dissolve compound in anhydrous DMSO to 10–50 mM. Vortex and, if needed, sonicate briefly. Record exact concentration by weight or by UV if extinction coefficient is known (otherwise, use gravimetric).
• Aliquoting: Dispense into low-bind tubes or assay plates; minimize headspace. Avoid repeated freeze–thaw by preparing single-use aliquots.
• Assay dilution: Add stocks to assay buffer to achieve final DMSO ≤0.5% v/v. Include vehicle controls and a positive control where available.
• Serial titration: Prepare 8–12 point dose–response (e.g., 3-fold dilutions). Mix thoroughly; inspect for precipitation.
• Data quality: Monitor Z’ factor, incorporate duplicates/triplicates, and check for compound autofluorescence/absorbance overlap with readout.
• Follow-up: Confirm hits with fresh solid, orthogonal readouts, and purity verification.

Item-specific parameters (solubility limits, extinction coefficient, assay-validated concentrations) are not specified for this item; refer to CoA/Spec Sheet.

Biological Roles

No biological function, target class, or pathway information is provided for this specific compound.

• Assigned roles: Not specified for this item; refer to CoA/Spec Sheet or internal screening results.

General considerations for library compounds

• Library members may interact with diverse protein targets (enzymes, receptors, transporters) or phenotypic pathways but should be treated as having unknown MOA until deconvoluted.
• Assess for common assay interferences (fluorescence quenching, redox cycling, metal chelation, detergent-sensitive aggregation). Include appropriate counter-screens.
• Define preliminary physicochemical liabilities (e.g., PAINS motifs, reactive functional groups) using in silico filters, then substantiate with experiment.
• Establish selectivity early by profiling against related targets or panels; confirm on-target effects with orthogonal methods (genetic rescue, chemical probes).

All uses are for research only; no biological or clinical claims are made for this item.

Buffer Applications

This product is not a buffering reagent, and no pKa or acid/base characteristics are provided.

• Buffer selection is typically driven by the biological assay rather than by the compound. Choose buffers (e.g., HEPES, PBS, Tris) that maintain target stability and are compatible with a small percentage of DMSO.
• If the compound demonstrates pH-sensitive solubility or stability, optimize within your assay’s permitted range and confirm by LC–MS.

Item-specific buffer behaviors (solubility, stability, precipitation thresholds) are not specified for this item; refer to CoA/Spec Sheet or determine empirically.

Green Alternatives

Green chemistry considerations are typically applied to solvents, scale, and waste rather than to the identity of a library compound itself. As the structure and use conditions are not specified for this item, consider the following general strategies:

• Prefer aqueous assay buffers and minimize DMSO to the lowest effective level (e.g., ≤0.1–0.5% v/v) while maintaining solubility.
• Use miniaturized assay formats (384/1536‑well) to reduce compound and solvent consumption and downstream waste.
• Select greener analytical eluents where compatible (e.g., water–ethanol or water–acetonitrile with additive control) and avoid chlorinated solvents unless analytically required.
• Consolidate shipping and order planning to reduce packaging and cold-chain footprints; this product ships/stores at ambient conditions per listing, easing logistics.
• Implement in-plate titrations and acoustic dispensing to minimize disposable plastics and dead volumes.

Trade-offs

• Lower DMSO content improves EHS profile but may increase precipitation risk; validate solubility margins.
• Replacing ACN with MeOH/EtOH can be greener but may affect chromatographic performance; re-optimize gradients.

Note: No item-specific green substitutions apply to the compound identity. Focus on greener process choices in screening and analysis.

Pharmaceutical Uses

No pharmaceutical, excipient, or compendial status is provided for this compound.

• Regulatory status: Research use only; not GMP; not intended for human or veterinary use.
• Formulation role: Not specified for this item; refer to CoA/Spec Sheet. In discovery contexts, compounds may be formulated short-term for in vitro assays or exploratory in vivo research by qualified laboratories, but such use requires internal safety and compliance review.
• Reference material: Library compounds can serve as non-compendial reference standards for analytical method development in research settings; verify identity and purity with in-house characterization.

No therapeutic claims are made or implied. For any downstream development activities, obtain full structural data, impurity profile, and stability information and follow institutional quality systems.

Physical Properties

Item-specific physicochemical parameters are not disclosed in this entry.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point / Boiling point: Not specified for this item; refer to CoA/Spec Sheet.
• Density / Refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility profile: Not specified for this item; refer to CoA/Spec Sheet.
• pKa / logP(logD): Not specified for this item; refer to CoA/Spec Sheet.

General guidance for small-molecule library members (literature/practice; not item-specific)

• For initial handling, prepare a small trial dissolution in anhydrous DMSO (e.g., 10–50 mM) to assess solubility; if insoluble, consider co-solvents such as DMF, NMP, or adding a minimal amount of ethanol or acetonitrile before dilution into aqueous buffers.
• Evaluate solution stability over time and temperature by LC–MS and HPLC; some chemotypes may undergo hydrolysis, oxidation, or photolysis in aqueous or basic media.
• If the material is a low-melting solid or a viscous oil, handle under dry air or nitrogen to minimize moisture uptake; verify weight by differential weighing to account for hygroscopicity.
• For assays sensitive to particulates, pass solutions through 0.2 μm PTFE filters after dissolution; verify no analyte loss to the membrane by LC–MS recovery.

Note: Treat all property values as unknown until confirmed by the CoA/Spec Sheet or in-house characterization.

Quality and Grades

• Grade/Purity: Moligand™ (screening/library grade). Item-specific purity, residual solvents, and analytical release criteria are not listed here; consult the CoA/Spec Sheet for exact values.

What Moligand™ generally implies (general information; not item-specific specifications)

• Intended for hit identification and SAR workflows, typically supplied with analytical identity confirmation (e.g., LC–MS and/or NMR) and chromatographic purity determined by HPLC/UPLC under one or more methods.
• Focused on research-use performance (not GMP, not clinical). Materials are suitable for biochemical/cellular assays and medicinal chemistry triage when handled under appropriate assay controls.
• UV profile, metal content, and stabilizer information vary by compound and are only authoritative when provided on the item’s CoA.

Quality considerations and best practices

• Verify identity and purity on receipt by orthogonal methods (e.g., LC–MS with at least two gradients, HRMS if available). Confirm salt form and hydration/solvation state.
• Record batch number and retain aliquots of solid and stock solutions for future cross-checks. For HTS, document plate maps, lot tracking, and analytical references.
• If the CoA lists multiple purity measurements, note the lowest method purity when setting acceptance criteria for assays.

Not specified for this item; refer to CoA/Spec Sheet for: assay purity %, residual solvent limits, water content, stabilizers, and UV cutoff.

Reaction and Applications

This product is supplied as a small-molecule library member for discovery research rather than as a synthetic reagent. No item-specific reactivity or application notes are provided in the listing.

Research use scenarios (general guidance)

• Biochemical and biophysical screening: Use in enzyme inhibition assays, receptor binding, thermal shift (DSF), microscale thermophoresis (MST), or SPR after solubility/stability verification.
• Cell-based assays: Evaluate phenotypes with careful DMSO matching across controls; assess cytotoxicity windows (e.g., resazurin/CTG) before target assays.
• Hit validation: Confirm activity across orthogonal assays; check for colloidal aggregation (e.g., detergent sensitivity, dynamic light scattering) and redox interference.
• Analytical profiling: Record LC–MS retention time, high-resolution mass, and purity under multiple gradients. Monitor chemical stability in assay buffer and at incubation temperature.

Not specified for this item; refer to CoA/Spec Sheet for any manufacturer-provided application notes. If synthetic transformations are intended, first obtain full structural information and compatibility data, as this product is not positioned primarily as a building block.

Reaction Conditions

Not applicable for this item as a generic synthetic reagent. No reaction conditions, catalysts, or yields are specified for this compound.

General notes (if used in assays rather than reactions)

• For biochemical assays, typical incubation temperatures are room temperature to 37°C with DMSO kept ≤0.5–1% v/v; confirm compound stability over the assay duration.
• For cell assays, pretest dose ranges with appropriate vehicle controls; adsorption to plastics and precipitation can confound apparent potency—use low-bind labware and verify homogeneity.

Item-specific reaction or assay conditions are not specified for this item; refer to CoA/Spec Sheet and validate empirically.

Safety and Handling

Hazard classification and GHS details are not provided in this listing.

• GHS/CLP classification, pictograms, H‑statements: Not specified for this item; refer to SDS.
• Signal word: Not specified for this item; refer to SDS.

General laboratory precautions (for uncharacterized small molecules)

• Use a fume hood; avoid inhalation, ingestion, and skin/eye contact. Wear lab coat, safety glasses, and disposable nitrile gloves. For scale-up or aerosol-generating procedures, consider face shield and heavier gloves.
• Avoid exposure to strong oxidizers, strong acids/bases, and reactive metals until compatibility is known. Keep away from ignition sources if volatility/flammability is suspected.
• Prevent light- or air-induced degradation by minimizing exposure and closing vials promptly. Use amber vials for solutions when feasible.
• In case of contact: rinse skin/eyes with water for ≥15 minutes; seek medical attention. If inhaled, move to fresh air; if ingested, do not induce vomiting—consult medical services. Defer to SDS for authoritative first-aid measures.
• Waste: Collect solutions and rinsates as organic chemical waste. Segregate halogenated from non-halogenated streams.

Note: Always consult the product-specific SDS and CoA for definitive hazard, incompatibility, and first‑aid information.

Solvent Selection

Item-specific solubility is not provided. Selection should follow a tiered approach typical for discovery compounds.

• Primary stock solvent: DMSO is the default for screening stocks due to broad solvency and assay compatibility at ≤0.5–1% v/v in most biochemical/cellular assays.
• Co-solvent strategies (general):
  • For poorly soluble compounds, pre-wet with a small volume of DMF or NMP, then dilute with DMSO.
  • For working solutions, dilute DMSO stocks into aqueous buffers (e.g., PBS, HEPES) maintaining final DMSO ≤0.1–1% v/v to balance solubility and biological tolerance.
  • For analytical injections, acetonitrile/water or methanol/water with 0.1% formic acid or ammonium acetate is common.
• Avoid precipitates:
  • Add organic first, then aqueous phase slowly with mixing.
  • Inspect by light scattering or microplate nephelometry where available.
• Adsorption mitigation:
  • Use low-binding polypropylene tubes/plates for lipophilic compounds; pre-rinse surfaces with dilute DMSO if carryover is observed.

Comparison (general, not item-specific)

• DMSO vs DMF: DMSO is less volatile and more assay-compatible; DMF can improve solubility for challenging scaffolds but may be less tolerated biologically.
• Acetonitrile vs methanol (analytics): ACN provides lower viscosity and sharper peaks; MeOH can improve solubility for some polar analytes.

Storage and Reconstitution

• Storage conditions (as listed): 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.

General best practices (not item-specific)

• Store in original, well-closed container, protected from moisture and light. For hygroscopic or light-sensitive compounds, use desiccant and amber vials as appropriate.
• If long-term storage is anticipated, consider secondary containment with desiccant at ambient or lower temperature per stability data when available.
• For solution stocks, prepare in anhydrous DMSO, aliquot into small volumes, and store at −20 to −80°C to minimize degradation; avoid repeated freeze–thaw cycles.
• Label aliquots with compound ID, lot, concentration, solvent, date, and preparer; maintain inventory and QC records.

Reconstitution

• Item-specific solvent and concentration limits are not specified for this item; refer to CoA/Spec Sheet. As a general starting point for screening, attempt 10–50 mM in DMSO, confirming complete dissolution and stability by LC–MS/HPLC before use.

Research use only. Consult the product’s CoA and SDS for definitive handling and storage guidance.

Structure and Identity

A607772 (ASN04421891) is listed as a Moligand small-molecule library member intended for research screening and discovery workflows. The detailed chemical structure is not disclosed in this catalog entry.

• SKU: A607772
• Product name: ASN04421891
• CAS: 570365-12-7
• Category: Small molecules & compound libraries (screening collection)
• Grade: Moligand™ (library/screening grade)
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

Structural features

• Item-specific functional groups, ring systems, and stereochemistry are not provided in this listing. Request the compound sheet or CoA for structural identifiers and characterization data (e.g., 1H NMR, LC–MS, HRMS, HPLC purity).

General notes (applies to library compounds)

• Moligand compounds are typically selected to explore medicinal chemistry space (drug-like or lead-like properties), but final physicochemical and structural details must be verified per item via the CoA/Spec Sheet.
• For database registration and ELN use, populate identifiers upon receipt using the provided CoA (CAS, MW, exact mass, formula, and structural file if supplied).

Synthetic Utility

This item is positioned as a screening library compound rather than a synthetic reagent or building block, and no structural information is provided to infer reactivity.

• Functional groups and protecting strategies: Not specified for this item; refer to CoA/Spec Sheet and structural disclosure.
• Named reactions / transformations: Not applicable without structure. If synthetic elaboration is intended (e.g., for analog generation), first obtain or determine the structure, confirm substitution pattern and stereochemistry, and assess functional group compatibility.
• Reference use: The compound may be used as a reference analyte in methods development (LC–MS/HPLC), stability studies, or as a comparator in SAR projects, once identity and purity are confirmed.

Recommendation: If synthetic diversification is desired, request the corresponding building block or perform de novo synthesis guided by analytical data and IP considerations.

Target Specificity

• Target/epitope: Not specified for this item; refer to CoA/Spec Sheet.
• Species reactivity / selectivity panel: Not specified for this item; refer to CoA/Spec Sheet.
• Assay validation: Not specified for this item; refer to CoA/Spec Sheet.

This product is a small-molecule library member with no declared target specificity in the listing. Determine specificity through screening, counter-screens, and orthogonal assays as part of your discovery workflow.