T-10418 - Moligand™, 10 mM in DMSO , CAS No.1608784-68-4

CAS: 1608784-68-4 Cat. No.: T1498552 分子式: C₂₂H₂₀N₂O₄ 分子量: 376.41

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

T-10418 is an agonist for G2 accumulation protein ( G2A ) (also known as G protein-coupled receptor GPR132 ) with an EC 50 of 0.82 μM. T-10418 exhibits a sensitizing effect on mouse primary sensory neurons. T-10418 exhibits good pharmacokinetic characteristics, and no obvious toxicity (at 100 μM) in mouse models.

Specifications

仕様と純度

Moligand™, 10 mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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等級

Moligand™

名前と識別子

分子量

376.41

Application Protocols

The following outlines a generic workflow for handling small-molecule screening compounds. Adjust based on your assay and consult the lot-specific CoA/SDS. No activity or target claims are made for this item.

• Preparation of stock solution (general)

  • Equilibrate vial to room temperature in a desiccator before opening to avoid condensation.
  • Dissolve to 10–50 mM in anhydrous DMSO (start at lower volumes and titrate solvent). Vortex and sonicate gently. If insoluble, consider DMF or MeOH as co-solvent, then back-dilute into DMSO.
  • Clarify by centrifugation or 0.22 µm filtration. Record exact concentration and solvent composition.

• Working solution and assay setup

  • Prepare serial dilutions in DMSO (e.g., 3-fold series), then transfer into buffer to reach final assay concentrations with ≤0.5–1% DMSO.
  • Include matched vehicle controls. Inspect for precipitation after dilution and before plate reading.
  • For cell-based assays, verify tolerability of the final solvent system and pretest cytotoxicity if unknown.

• Stability & documentation

  • Aliquot master stock into single-use vials or plates to minimize freeze–thaw. Track lot number, storage temperature, and freeze–thaw count in ELN/LIMS.
  • Discard solutions showing discoloration, precipitate, or activity drift; confirm integrity by LC–MS when critical.

Biological Roles

• Item-specific (Product Data)

  • No target, pathway, or mode-of-action information is provided for T-10418. Biological roles are not specified for this item; refer to CoA/Spec Sheet or internal project annotations.

• General considerations for small-molecule ligands (not item-specific)

  • Potential roles: Enzyme modulators, receptor ligands, ion-channel probes, or pathway perturbagens depending on structure and context.
  • Off-targets and liabilities: Aggregation, covalent reactivity, redox cycling, and assay interference can confound readouts; incorporate orthogonal assays and controls (detergent, counterscreens, spectral interference checks).
  • ADME-relevant properties: Permeability, efflux, metabolic stability, and protein binding influence cellular and whole-lysate assays; profile early when relevant to your use case.

• Documentation

  • If the structure is disclosed under CDA within your program, integrate computed physicochemical parameters (cLogP, pKa, TPSA) with experimental potency to rationalize observed biology. Such parameters are not provided here and must not be assumed.

Buffer Applications

This product is not a buffering reagent. However, buffers are central to generating reliable screening data with small-molecule ligands.

• Item-specific (Product Data)

  • No buffer-related specifications are provided.

• General guidance (not item-specific)

  • Common assay buffers: HEPES (pH 7.0–7.5), PBS (pH 7.2–7.4), Tris (pH 7.5–8.0), or acetate (pH 4.5–5.5) depending on target biology.
  • DMSO carryover: Maintain ≤0.5–1% v/v; verify enzyme tolerance and include vehicle controls at the highest solvent percentage.
  • Additives: 0.01–0.05% nonionic detergent (Tween‑20 or Triton X‑100) can mitigate colloidal aggregation; 0.1–1 mg/mL BSA may reduce nonspecific binding for some targets.
  • Filtration/clarity: After dilution from DMSO stocks, inspect for precipitation; if needed, centrifuge or filter (0.22 µm) prior to plate dispensing to ensure optical assay consistency.

• Practical tip

  • Pre-equilibrate buffers and reagents to assay temperature; many binding equilibria are temperature sensitive, and small thermal drifts can bias potency estimates.

Green Alternatives

No specific solvent or process is prescribed for this item. Nevertheless, greener choices can be incorporated into screening workflows while preserving data quality.

• Context (general; not item-specific)

  • DMSO is the de facto stock solvent; while effective, consider minimizing DMSO carryover to ≤0.5% v/v in assays. Explore greener co-solvents or carriers where compatible.

• Potential alternatives and trade-offs (general/literature)

  • Ethanol or isopropanol: Bio-based availability and better EHS profile than DMF; may impact protein stability above low percentages.
  • Propylene glycol or PEG-400: Low volatility and favorable safety; can increase solution viscosity and potentially affect readouts.
  • Aqueous cyclodextrin solutions: Improve apparent solubility of hydrophobes; may interfere with some binding interactions—validate carefully.
  • 2-MeTHF or CPME (for synthetic steps, if any): Greener ethers vs. THF/Et2O; not typically required for screening stock preparation.

• Practical steps

  • Use the minimum effective organic content, implement closed-vial dissolution with sonication to reduce solvent losses, and document solvent composition in assay reports.
  • Conduct small-scale compatibility tests to ensure alternatives do not alter target conformation or optical signals.

Pharmaceutical Uses

• Item-specific (Product Data)

  • Research Use Only. No clinical or therapeutic use is stated or implied for T-10418. Not intended for human or veterinary administration.

• General (not item-specific)

  • Small-molecule ligands in discovery are used as tool compounds, hits, or leads within R&D. They may support target validation, SAR development, and preformulation research but are distinct from GMP-grade or pharmacopeial substances.
  • Excipient/formulation roles are not applicable without explicit disclosure; none are provided here.

• Compliance note

  • For any work approaching regulated studies, ensure appropriate grade, documentation, and change control. This Moligand™ item is suited for exploratory research, not for pharmaceutical manufacturing.

Physical Properties

Measured item-specific properties are not provided in this listing.

• Item-specific (Product Data)

  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • Melting point: Not specified for this item; refer to CoA/Spec Sheet.
  • Boiling point: 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, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.

• General/Literature guidance (for small-molecule library compounds; not specific to this item)

  • Stock solutions are commonly prepared at 10–50 mM in anhydrous DMSO, then diluted into aqueous assay buffers; the final DMSO percentage is often kept at ≤0.5–1% v/v to minimize assay interference.
  • If water solubility is limited, co-solvent systems (DMSO→buffer, DMSO/PEG-400→buffer) or inclusion aids (e.g., 2‑hydroxypropyl‑β‑cyclodextrin) may be used.
  • A tiered solubility screen can be practical: DMSO → MeOH/EtOH → DMF → buffered aqueous with surfactant (e.g., 0.01–0.05% Tween‑20), documenting any turbidity/precipitation.

• Important

  • Do not treat the above as item specifications. For this exact SKU and lot, only the CoA/SDS provide authoritative physical data.

Quality and Grades

• Item-specific (Product Data)

  • Grade: Moligand™ (Aladdin small-molecule ligand/screening collection)

• What Moligand™ signifies (general description; not a specification)

  • Intended Use: Discovery and screening workflows (biochemical assays, target engagement, orthogonal biophysical methods) in research settings.
  • Characterization: Moligand items are typically supported by analytical QC such as identity confirmation and assessment of purity; however, specific tests, methods, and acceptance criteria are lot-dependent. Always refer to the CoA for the exact panel (e.g., LC–MS, HPLC/UPLC, NMR) and results.
  • Documentation: Lot-specific CoA/SDS provide identity confirmations, purity results, and handling guidance. Any stabilizers, residual solvents, or salts/counterions will be noted there if applicable.

• How to interpret grade vs. application

  • Moligand grade is oriented toward screening reliability and reproducibility rather than pharmacopeial compliance. It is appropriate for HTS, fragment/ligand screening, and SAR exploration in research labs.
  • If low-UV or trace-metal constraints are critical (e.g., bioanalytical quantitation, specialized catalysis), verify compatibility on the CoA or request additional information.

• Avoid assumptions

  • Do not infer assay-ready concentration, salt form, or polymorph without checking the CoA. Numeric purity, water content, and residual solvents are Not specified for this item; refer to CoA/Spec Sheet.

Reaction and Applications

This Moligand™ entry is supplied for discovery screening rather than as a synthetic reagent. In the absence of structural information, no specific chemical reactivity profile can be provided.

• Item-specific (Product Data)

  • Manufacturer Applications: Not specified in the listing; refer to CoA/Spec Sheet for any additional notes.

• General applications for small-molecule ligands (not item-specific)

  • Biochemical screening: Enzyme inhibition/activation assays, target engagement studies (e.g., CETSA), and orthogonal biophysical methods (SPR, BLI, DSF/thermal shift).
  • Cellular assays: Phenotypic screens or pathway modulation with controlled DMSO levels; confirm permeability and cytotoxicity as part of triage.
  • SAR workflows: Use analogs to map activity cliffs and physicochemical constraints; integrate with docking or structure-based design when target structures are available.
  • Counterscreens: Include interference panels (redox cycling, PAINS assays, aggregation controls with 0.01–0.05% nonionic detergents) to ensure clean MOA.

• Practical guidance

  • Prepare concentrated DMSO stocks, confirm chemical stability by LC–MS over study duration, and monitor freeze–thaw history. Use fresh dilutions for sensitive assays.
  • Record final solvent percentages and any additives in ELNs for reproducibility and cross-lab comparability.

Reaction Conditions

This listing does not present T-10418 as a reagent for named reactions, and no structural data are provided to suggest specific conditions.

• Item-specific (Product Data)

  • Reaction guidance: Not specified for this item; refer to CoA/Spec Sheet.

• General (not item-specific)

  • If the compound is to be modified or derivatized, establish conditions based on confirmed functional groups and stability data (from NMR/UPLC/LC–MS). Pilot small-scale studies and monitor by LC–MS to avoid degradation.
  • Absent a known structure, recommended temperatures, catalysts, or yields cannot be provided.

Safety and Handling

Safety details have not been specified for this product entry. Handle as a research-use small molecule of unknown hazard profile and consult the SDS prior to use.

• Item-specific (Product Data)

  • GHS Classification: Not specified for this item; refer to SDS.
  • Signal Word: Not specified for this item; refer to SDS.
  • H-Statements: Not specified for this item; refer to SDS.
  • Pictograms: Not specified for this item; refer to SDS.

• General laboratory guidance (not item-specific)

  • PPE: Safety glasses, lab coat, and appropriate chemical-resistant gloves; use a certified fume hood for weighing/dissolution to avoid inhalation of particulates or solvent vapors.
  • Avoid: Skin/eye contact, inhalation of dust/aerosols, and ingestion. Implement good hygiene (no food/drink in lab, wash hands after handling).
  • Incompatibilities: Unknown for this item; segregate from strong oxidizers/reductants and acids/bases until specific data are available. Use secondary containment.
  • First aid (overview): If on skin/eyes, rinse with water for ≥15 minutes; if inhaled, move to fresh air; if ingested, seek medical attention. Provide SDS to responders.
  • Spill response: Contain solids with damp disposable towels or HEPA vacuum; for solutions, absorb with inert material. Dispose as hazardous chemical waste per institutional and local regulations.

• SDS

  • Always defer to the lot-specific SDS for authoritative hazard and response information.

Solvent Selection

Because no structural data are disclosed here, solvent choice should follow a pragmatic, tiered approach validated empirically for your assay.

• Item-specific (Product Data)

  • No specific solubility information is provided; refer to CoA/Spec Sheet.

• General guidance for small-molecule screening stocks (not item-specific)

  • Primary solvent: Anhydrous DMSO is the default for 10–50 mM master stocks due to broad solvency and assay compatibility at ≤0.5–1% v/v.
  • Co-solvents: If needed, DMF or MeOH/EtOH can assist dissolution before final aqueous dilution. PEG-400 or 2‑hydroxypropyl‑β‑cyclodextrin can enhance apparent solubility in water.
  • Buffer compatibility: Confirm that the final solvent composition (including surfactants like 0.01–0.05% Tween‑20) does not perturb your target or readout.

• Quick comparison (general properties; literature)

  • DMSO: High polarity/aprotic, miscible with water/organics; strong solvency but may affect some enzymes at >1% v/v.
  • DMF: Powerful polar aprotic; more hygroscopic/odorous; similar caveats as DMSO.
  • Ethanol/MeOH: Protic, miscible; may denature proteins at higher percentages; flammable.
  • Water: Preferred final medium; many hydrophobic ligands require co-solvent or carrier systems.

• Practical tips

  • Warm (room temperature) sonication and incremental solvent addition aid dissolution; always filter or centrifuge to remove undissolved particulates before assay dispensing.

Storage and Reconstitution

• Item-specific (Product Data)

  • Storage Conditions: Store at -80°C.
  • Shipped In: Dry ice packs + Cold packs.
  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.

• General storage guidance (not item-specific)

  • Keep tightly closed in original container, protected from light and moisture. Upon receipt, verify package integrity and return immediately to −80°C storage.
  • For working stocks, prepare small single-use aliquots (e.g., 10–50 µL) in inert vials or plate wells, flush headspace with inert gas if feasible, and refreeze promptly after use. Avoid repeated freeze–thaw cycles.
  • Label aliquots with compound ID, lot, concentration, solvent, date, and operator initials; manage with LIMS for traceability.

• Reconstitution (general)

  • Use anhydrous DMSO as first-choice solvent unless the CoA specifies otherwise. Start with a small volume, vortex/sonicate, then bring to target concentration.
  • Warm to room temperature before opening frozen vials to avoid atmospheric moisture condensation; re-seal quickly in a low-humidity environment.

• Stability note

  • No item-specific stability window is provided. If long-term studies are planned, establish an in-house stability protocol (periodic LC–MS/HPLC checks) under your exact storage and handling conditions.

• Research Use Note

  • For research use only.

Structure and Identity

Brief overview: T-10418 (SKU T1498552) is listed in our small‑molecule/compound library (Moligand series) for research screening and ligand discovery. Structural identifiers are not provided in the current listing.

• Item-specific (Product Data)

  • CAS: 1608784-68-4
  • Product Name: T-10418
  • SKU: T1498552
  • Grade: Moligand™
  • 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.

• General notes (applicability)

  • Compound Type: Small-molecule screening ligand (general class), intended for biochemical/cellular assay development and SAR exploration.
  • Structural Features: Not disclosed in this catalog entry. Without a structure, functional-group analysis, ring systems, or stereochemical descriptors cannot be provided.
  • 2D Description (textual): Not available; please consult the CoA/SDS for any structural depiction released for this batch.

• Documentation

  • For definitive identity and purity data, obtain the lot-specific CoA and SDS. These typically include a structural drawing (if disclosed), analytical traces, and any registry identifiers.

Synthetic Utility

Given the absence of structural information, this compound is not positioned here as a general-purpose synthetic reagent.

• Item-specific (Product Data)

  • No functional groups, reactivity, or transformation guidance are specified for T-10418.

• General comment (not item-specific)

  • If used within a medicinal chemistry program, transformations, protection strategies, and coupling chemistries would be dictated by the disclosed structure; none can be responsibly inferred here.
  • For derivative preparation or bioconjugation, consult the CoA/SDS for any functional handles or salt forms. Without such data, synthetic planning cannot be provided.

Target Specificity

• Item-specific (Product Data)

  • Target, pathway, selectivity, and species reactivity: Not specified for this item; refer to CoA/Spec Sheet or internal discovery records.

• General (not item-specific)

  • For screening ligands, define target specificity using orthogonal assays (biochemical vs. biophysical), concentration–response curves, and selectivity panels across related isoforms. Confirm binding with thermal shift or direct binding (SPR/BLI) where possible.
  • Flag potential assay interference (e.g., fluorescence, absorbance, redox) via dedicated counterscreens before concluding specificity.

よくある質問

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

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 is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1608784-68-4, the molecular formula is C22H20N2O4, and the molecular weight is 376.41 g/mol.

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.