ASN008 - Moligand™ , CAS No.A607770

CAS: A607770 Cat. No.: A607770 PubChem CID: 60148469
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GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Storage
Room temperature
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Size
USA
ドイツ (EU)*
Price
Qty
5mg
A607770-5mg
受注生産 · 8~12週間

$1,142.90

$1,334.90
保存 $192.00 (14.38%)
25mg
A607770-25mg
受注生産 · 8~12週間

$1,714.90

$2,000.90
保存 $286.00 (14.29%)
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

仕様と純度
Moligand™
保管条件
Room temperature
等級
Moligand™
名前と識別子
カノニカル・スマイルCc1ccccc1N(C1Cc2c(C1)cccc2)CC[C@H]1CCCC[N+]1(C)C
IUPAC NameN-[2-[(2R)-1,1-dimethylpiperidin-1-ium-2-yl]ethyl]-N-(2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
InChIKeyMSOHOVLMACCLHW-XMMPIXPASA-N
INCHI1S/C25H35N2/c1-20-10-4-7-14-25(20)26(16-15-24-13-8-9-17-27(24,2)3)23-18-21-11-5-6-12-22(21)19-23/h4-7,10-12,14,23-24H,8-9,13,15-19H2,1-3H3/q+1/t24-/m1/s1
異性体SMILES CC1=CC=CC=C1N(CC[C@H]2CCCC[N+]2(C)C)C3CC4=CC=CC=C4C3
PubChem CID 60148469

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

3 D構造
インタラクティブ化学構造モデル





証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
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顧客レビュー

Application Protocols

No vendor-tested applications are provided for this item. The following are general, non-item-specific templates for using small-molecule screening ligands in discovery assays.

  • Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM. Vortex and, if needed, sonicate briefly. Record exact concentration and lot.
  • Aliquoting: Dispense single-use aliquots (e.g., 10–50 µL) in low-bind tubes or plates to avoid repeated freeze–thaw. Label with date and concentration.
  • Serial dilutions: Prepare 8–12 point dilution series (e.g., 3-fold) in DMSO or assay buffer ensuring final vehicle ≤0.5–1% v/v.
  • Assay addition: Add to cells/enzymes last, under mixing, to minimize precipitation. Include vehicle-only and positive-control wells.
  • Data QC: Monitor potential interference (autofluorescence/absorbance) with blank wells; confirm integrity by LC–MS pre/post assay when feasible.
  • Storage of working plates: If using source plates, seal (foil or heat seal) and store per solvent compatibility. Avoid prolonged exposure to ambient humidity.

Item-specific conditions (WB, IHC, IF, FC, etc.)

  • Not specified for this item; refer to CoA/Spec Sheet. No antibody- or probe-type protocols are applicable without target annotation.
Biological Roles

Item-specific biological target, pathway, or mode-of-action information is not provided in the product data.

General guidance for small-molecule screening ligands

  • Intended use: Research tool compound for discovery assays. It may serve as a starting point for target identification, mechanism-of-action studies, or SAR exploration, contingent on availability of structural and bioactivity data.
  • Target deconvolution strategies: If activity is observed, consider chemoproteomics (affinity capture if derivatizable), CRISPR-based modifier screens, thermal profiling (TPP/CETSA), or broad panel profiling to identify putative targets.
  • Selectivity contextualization: Pair assays with a counter-screen panel to discriminate on-target effects from assay interference or pan-assay interference (PAINS) behavior. Orthogonal readouts help validate hits.
  • ADME/tox pre-checks: Early solubility, stability (chemical and metabolic), and cytotoxicity counterscreens aid in interpreting phenotypic outcomes.

Caveats

  • Without confirmed structure or annotation, no biological role can be ascribed to ASN008. Avoid extrapolating from similarly named compounds without documentation.

Documentation

  • Record lot numbers, stock preparation, and vehicle percentages in all biological experiments for reproducibility. Obtain structure and verified potency data before publishing or transferring knowledge to downstream programs.
Buffer Applications

ASN008 is a small-molecule screening compound rather than a buffering reagent. No buffer capacity or pKa values are provided.

Practical guidance for using in buffered systems (general)

  • Prepare a concentrated DMSO stock and dilute into the working buffer to the desired final concentration while keeping DMSO low (commonly ≤0.5–1% v/v; confirm system tolerance).
  • Typical assay buffers: PBS, HEPES, or Tris-based buffers with defined pH and ionic strength. Choose the buffer to match your biological target requirements (e.g., HEPES for near-neutral pH stability).
  • To mitigate precipitation upon dilution, add stock slowly under mixing, or pre-equilibrate buffer with a small amount of DMSO/ethanol.
  • If nonspecific binding is suspected, include carrier protein (e.g., 0.1% BSA) or a nonionic surfactant at low levels (e.g., 0.01% Tween 20), provided it does not interfere with the assay.

Not applicable

  • Formulation recipes for buffering capacity, pH range, or Good’s buffer details are not applicable to this product due to lack of acid/base functional data and its role as a test article rather than a buffer component.
Green Alternatives

Because ASN008 is a discrete small-molecule library member rather than a process solvent or reagent, “green alternatives” apply mainly to handling solvents and workflows used with it.

Solvent choices for stock and assay work (general guidance)

  • Prefer water-based buffers whenever feasible. If a cosolvent is necessary, minimize the organic fraction.
  • Among organics, consider greener options when compatible with solubility and assay tolerance:
    • Ethanol (bio-sourced) as an alternative to isopropanol/acetone for cleaning or limited cosolvent use.
    • 2-MeTHF or Cyrene™ for synthetic operations involving the compound (if any), recognizing these are typically not used as assay cosolvents.

Comparison snapshot (general; not item-specific)

  • DMSO vs Ethanol for assay stocks:
    • DMSO: superior solvency, low volatility; potential enzyme/cell effects above ~0.5–1% v/v.
    • Ethanol: greener provenance, higher volatility; often tolerated in cells to ~0.2–0.5% v/v, but solvency is lower for many drug-like molecules.

Operational greening

  • Use miniaturized assay volumes (HTS/HCS) to reduce solvent use.
  • Consolidate shipments and select room-temperature shipping where validated (this item: room-temperature storage per listing) to reduce cold-chain impact.
  • Implement closed-waste capture and distillation/recovery programs for DMSO/MeOH where permitted.

Always balance green choices with data quality and compound stability.

Pharmaceutical Uses

No pharmacopeial status or excipient role is provided. ASN008 is supplied for research use only.

Context and limitations

  • Research Use Only (RUO): Not for human or veterinary use, not for diagnostic procedures, and not for clinical applications.
  • Without structural and quality attributes aligned to pharmacopeial monographs, ASN008 should not be used in GMP manufacturing or as a drug substance/excipient.

R&D formulation considerations (general; not item-specific)

  • For in vitro work, prepare DMSO stocks and dilute into media/buffer while monitoring precipitation and assay interference.
  • For pre-formulation research (nonclinical labs), evaluate solubility across pH (biorelevant media), cosolvent systems (PEG 400, ethanol), and surfactant-enabled systems (polysorbates), adhering to institutional compliance and biosafety policies.

Documentation

  • If translational studies are contemplated, obtain full structural disclosure, impurity profile, residual solvents, and stability data. Transition to qualified suppliers with appropriate QA/QC and regulatory documentation.

No therapeutic claims or clinical indications are made or implied for this product.

Physical Properties

Item-specific physicochemical data are not provided in the current product record.

Item-specific values

  • 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 specified for this item; refer to CoA/Spec Sheet.
  • Density: Not specified for this item; refer to CoA/Spec Sheet.
  • Solubility profile: 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 guidance (literature/practice-based, not item-specific)

  • For small-molecule screening ligands, initial dissolution is commonly attempted in anhydrous DMSO to prepare concentrated stocks (e.g., 10–50 mM), then diluted into assay buffers. If precipitation occurs upon dilution, introduce a cosolvent stepwise (≤1–2% final DMSO or ethanol in biological assays, as tolerated by the system).
  • If crystalline, a defined mp can assist in quick identity checks; otherwise, LC–MS or HRMS is preferred for confirmation where standards are not available.
  • When physicochemical properties are unknown, perform a micro-solubility screen (DMSO, DMF, MeOH, EtOH, acetonitrile, PBS with 0.01–0.1% surfactant) and document visual clarity and LC peak area over time to detect instability.

Please obtain definitive numerical properties from the CoA/Spec Sheet prior to method qualification or scale-up.

Quality and Grades
  • Grade/Purity (as listed): Moligand™

Interpretation and implications

  • Moligand™ indicates a small-molecule library/screening ligand offering intended for research use in discovery workflows (biochemical, biophysical, or cell-based assays). It denotes use-case (screening/tool compound) rather than a regulatory grade.
  • Item-specific numerical purity, residual solvent limits, water content, metals, stabilizers, and chromatographic identity criteria are not specified for this item; refer to CoA/Spec Sheet.

What this means in practice

  • For hit-finding and SAR triage, ensure you have access to an analytical certificate detailing purity assay method (e.g., HPLC/UPLC-UV, LC–MS), reference conditions, and acceptance criteria. If the CoA is unavailable, perform in-house QC prior to screening (LC–MS purity, confirm monoisotopic mass, check for polymorphism/solvate where relevant).
  • If ultra-low background absorbance/fluorescence is required (HTS optical assays), confirm UV–Vis profile and absence of intrinsic fluorescence/quenchers under your assay wavelengths.
  • For plate-based libraries, request or generate barcoded aliquots with chain-of-custody and stability data (freeze–thaw tolerance, DMSO stability at room temperature).

Scope and limitations

  • Moligand™ grade is for laboratory research use only and is not suitable for diagnostic or therapeutic applications. No pharmacopeial status is implied.
Reaction and Applications

Primary utility

  • Based on its listing within a small-molecule/compound library and Moligand™ grade, ASN008 is intended primarily as a screening ligand or test article for discovery assays (biochemical, biophysical, phenotypic, or selectivity profiling), rather than as a synthetic reagent.

Typical research applications (general; not item-specific)

  • Target engagement assays: Thermal shift (DSF), CETSA, SPR, MST, ITC to assess binding where protein targets are available.
  • Biochemical/enzymatic assays: Determine inhibition/activation profiles; develop IC50/Ki under defined substrate/cofactor conditions.
  • Cell-based assays: Viability, reporter, imaging, or electrophysiology formats with careful control of vehicle concentration (DMSO).
  • ADME pre-screens: Solubility, permeability (PAMPA/MDCK), microsomal stability, and plasma protein binding to inform assay design.

Not typically applicable

  • Without structural information, use in named synthetic reactions or as a building block cannot be recommended. If you intend to use ASN008 synthetically, obtain structural identifiers and reactivity data first.

Practical notes

  • Establish a serial dilution scheme (e.g., 8–12 points, 3-fold) and include vehicle-only and positive-control wells to contextualize activity.
  • Confirm compound integrity by LC–MS before and after critical assays (freeze–thaw cycles, long incubations) to rule out decomposition-driven artifacts.
Reaction Conditions

Not applicable for this listing as a screening ligand; no synthetic or transformation conditions are provided or implied.

If reactions involving ASN008 are contemplated (general guidance only)

  • Obtain definitive structural information and review solvent compatibility, stability (thermal/oxidative/hydrolytic), and functional group liabilities.
  • Start with microscale trials under inert atmosphere if instability is suspected; monitor by LC–MS.
  • Select conditions aligned to the scaffold (e.g., polar aprotic vs protic media, base/acid sensitivity), which cannot be recommended here without the structure.

For assay-related incubations

  • Document temperatures, incubation times, and vehicle percentages. Validate that the compound remains intact under assay conditions via pre/post LC–MS checks.

In summary, no reaction conditions are specified for this item; consult the CoA/Spec Sheet and structural data before any chemical transformations.

Safety and Handling

GHS and hazard details are not provided in the product data. Always consult the SDS for authoritative guidance.

Item-specific safety information

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

General laboratory precautions (good practice for unknown small molecules)

  • PPE: Lab coat, safety glasses, and appropriate chemical-resistant gloves. Use in a fume hood to minimize inhalation/dermal exposure.
  • Inhalation/dermal risks: Avoid dust/aerosol formation; prevent skin contact. Assume moderate acute toxicity until data indicate otherwise.
  • Spill response: Contain with inert absorbent, avoid environmental release, and dispose of as chemical waste per institutional policy.
  • Incompatibilities: Unknown; until specified, segregate from strong oxidizers and strong acids/bases. Avoid reactive metals if the structure suggests halides/acylating agents (not known here).
  • Thermal/light sensitivity: Unknown; store per label (room temperature) and protect from excessive heat and light as a precaution.
  • Hygroscopicity/volatility: Unknown; keep container tightly closed, minimize headspace opening events.

First-aid overview (defer to SDS)

  • Skin/eye contact: Rinse with water for 15 minutes; remove contaminated clothing; seek medical attention if irritation persists.
  • Inhalation: Move to fresh air; seek medical attention if symptoms occur.
  • Ingestion: Rinse mouth; do not induce vomiting unless directed by medical personnel; seek immediate medical advice.

Waste handling

  • Dispose as organic laboratory waste under local regulations. Do not discharge to drains.
Solvent Selection

Item-specific solubility is not provided. The guidance below reflects common practice for small-molecule screening ligands and should be adapted based on actual solubility/stability tests.

General dissolution strategy

  • Primary stock solvent: Anhydrous DMSO due to broad solvency for drug-like compounds; begin at 10–50 mM.
  • Secondary options: DMF, NMP, acetone, acetonitrile, methanol, ethanol. For biological assays, minimize final organic content (typically ≤0.5–1% v/v DMSO/EtOH) to avoid assay interference.
  • Aqueous formulations: Use buffer with cosolvent and, if permitted, 0.01–0.05% nonionic surfactant (e.g., polysorbate 20) to mitigate precipitation.

Polarity and miscibility (general)

  • Without structure, polarity class and dielectric constant are unknown. Start with DMSO (polar aprotic, fully miscible with water in small fractions) and back-calculate into assay buffers.

Practical tips

  • Warm gently (≤37 °C) and vortex/sonicate to assist dissolution; avoid prolonged heating that may accelerate degradation.
  • Filter 0.22 µm if particulate remains and the compound is not adsorptive; otherwise, centrifuge prior to use.
  • Verify concentration by UV–Vis (if chromophore present and extinction coefficient known) or by quantitative LC against standards.

Documentation

  • Record solvent lot, water content, and storage history of DMSO stocks; conduct periodic checks for precipitation or discoloration.
Storage and Reconstitution

Item-specific storage information

  • Storage Conditions: Room temperature (as provided in Product Data).
  • 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 for small-molecule screening compounds

  • Keep container tightly closed in a dry place; consider desiccation to mitigate moisture uptake if hygroscopicity is suspected.
  • Protect from excessive heat and light. While room-temperature storage is indicated, avoid temperature extremes (>30 °C) and direct sunlight.
  • After opening, record first-open date and minimize headspace exposure. If feasible, sub-aliquot into amber vials.

Reconstitution guidance (general)

  • Dissolve in anhydrous DMSO to create a concentrated stock (e.g., 10–50 mM), then dilute into assay media/buffer. Verify clarity and stability over the intended assay timeframe.
  • If aqueous solubility is required, explore cosolvent approaches and pH adjustments cautiously; confirm no precipitation occurs upon dilution.

Stability and freeze–thaw

  • Specific stability data are not provided; for DMSO stocks, limit freeze–thaw cycles and consider storage at 2–8 °C or −20 °C protected from moisture, validating stability by LC–MS.

For definitive instructions on storage limits, retest dates, and reconstitution specifics, consult the CoA/Spec Sheet.

Structure and Identity

Item-specific identifiers supplied are limited. Where values are missing, consult the CoA/Spec Sheet for definitive information.

  • Product Name: ASN008 (SKU: A607770)
  • CAS: Not specified for this item; refer to CoA/Spec Sheet. (Catalog shows "A607770" which appears to be the SKU, not a CAS RN.)
  • PubChem CID: 60148469 (as provided; verify against CoA/SDS for confirmation)
  • InChIKey: 227411 (as provided; note this is not in the typical 27-character InChIKey format; verify)
  • 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 and 2D depiction

  • Item-specific structural information (ring systems, functional groups, stereochemistry) is not available in the current product data.
  • General note: ASN008 is listed under “small molecules and compound library,” suggesting a discrete organic small molecule intended as a screening ligand. However, without a confirmed structure, no structural description can be given.

Traceability and identification best practices

  • Cite the SKU (A607770) on all experimental records.
  • Cross-check PubChem CID and InChIKey against the vendor CoA/SDS to ensure the correct entity is referenced prior to use in regulated workflows.
  • If structure is required for method development (LC–MS, NMR), request structural identifiers (SMILES, InChI) from the supplier before proceeding.
Synthetic Utility

Synthetic applications cannot be described without structural information.

  • Functional group reactivity, named reactions, or building-block roles: Not specified for this item; refer to CoA/Spec Sheet and structural data before any synthetic planning.

General advice if synthetic derivatization is intended

  • Obtain the SMILES/InChI and a structural drawing to predict reactivity, stability, and protective-group strategy.
  • Conduct small-scale scouting reactions and orthogonal analytics (LC–MS, NMR, HRMS) to confirm integrity and track side products.
  • If the compound is intended as a SAR starting point, consider designing a limited analog matrix around hypothesized hotspots once the scaffold is known, balancing electronics, sterics, and polarity.

Until the structure is verified, treat ASN008 strictly as a screening ligand for assay work rather than a synthetic intermediate.

Target Specificity

Item-specific target, pathway, or binding specificity is not provided.

  • Target(s): Not specified for this item; refer to CoA/Spec Sheet or vendor documentation.
  • Mode of action: Not specified for this item; refer to CoA/Spec Sheet.
  • Selectivity data/panels: Not specified for this item; refer to CoA/Spec Sheet.

Guidance for users

  • If ASN008 is used in target-based assays, include appropriate positive controls and counter-screens to establish specificity.
  • Employ orthogonal assays (e.g., biochemical vs biophysical) to confirm on-target effects and rule out assay artifacts.
  • Consider broad profiling (kinome, GPCR panels, ion channel panels, etc.) only after structural confirmation and preliminary activity is observed.

Need help choosing the grade?

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