ABD-1970 - Moligand™, ≥98% , Inhibitor of αβ-Hydrolase 6;Inhibitor of Monoacylglycerol lipase, CAS No.2010154-82-0, Inhibitor of αβ-Hydrolase 6;Inhibitor of Monoacylglycerol lipase

CAS: 2010154-82-0 Cat. No.: A607324 Fórmula: C21H24ClF6N3O3 Peso molecular: 515.88 PubChem CID: 122530045
Disponible para pedir
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. ≥98%
Synonyms
ABD1970
Storage
Room temperature
★
Size
USA
Alemania (EU)*
Price
Qty
5mg
A607324-5mg
Fabricado bajo pedido · 8–12 semanas
390,90US$
10mg
A607324-10mg
Fabricado bajo pedido · 8–12 semanas
799,90US$
25mg
A607324-25mg
Fabricado bajo pedido · 8–12 semanas
967,90US$
50mg
A607324-50mg
Fabricado bajo pedido · 8–12 semanas
1.249,90US$
100mg
A607324-100mg
Fabricado bajo pedido · 8–12 semanas
1.999,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥98% 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.

Descripción general

ABD-1970 is a highly potent and selective MGLL inhibitor.

Specifications

Sinónimos
ABD1970
Especificaciones y pureza
Moligand™, ≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Grado
Moligand™
Tipo de acción
INHIBITOR
Mecanismo de acción
Inhibitor of αβ-Hydrolase 6;Inhibitor of Monoacylglycerol lipase
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasC1CC2CN(CC1O2)C3=C(C=CC(=C3)Cl)CN4CCN(CC4)C(=O)OC(C(F)(F)F)C(F)(F)F
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]piperazine-1-carboxylate
InChIKeyCXSFVTMRWPSLGO-UHFFFAOYSA-N
INCHI1S/C21H24ClF6N3O3/c22-14-2-1-13(17(9-14)31-11-15-3-4-16(12-31)33-15)10-29-5-7-30(8-6-29)19(32)34-18(20(23,24)25)21(26,27)28/h1-2,9,15-16,18H,3-8,10-12H2
Isómeros SMILES C1CC2CN(CC1O2)C3=C(C=CC(=C3)Cl)CN4CCN(CC4)C(=O)OC(C(F)(F)F)C(F)(F)F
PubChem CID 122530045
Peso molecular 515.88

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

Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
MGLL Tchem Monoglyceride lipase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABHD6 Tchem Monoacylglycerol lipase ABHD6 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PLA2G7 Tchem LDL-associated phospholipase A2 (1338 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MGLL Tchem Monoglyceride lipase (1909 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Calculadoras de soluciones
Reseñas

Reseñas de cliente

Application Protocols

Item-specific facts (from Product Data)

  • No tested applications or protocols are provided for ABD-1970.

General starting-point protocols (not compound-specific)

  • DMSO stock preparation: Weigh compound quickly in a low-humidity environment. Dissolve to 10–50 mM in anhydrous DMSO, vortex/sonicate until clear. Aliquot into low-bind tubes; store tightly capped.
  • Thermal shift (DSF) screening: Prepare protein in assay buffer (e.g., 20 mM HEPES, 150 mM NaCl). Add ligand to desired final concentrations with constant DMSO (e.g., 1%). Run melt curves and analyze ΔTm relative to vehicle.
  • Enzyme inhibition assay: Establish substrate turnover in linear range. Titrate ABD-1970 across ≥8 concentrations. Include counterscreens (e.g., detergent to test aggregation sensitivity) and confirm with orthogonal method (e.g., SPR/MST).
  • Cell-based testing: Verify compound solubility in media; limit DMSO to ≤0.1–0.5% where possible. Include vehicle and cytotoxicity controls.
Biological Roles

Item-specific facts (from Product Data)

  • No biological annotations or target information are provided for ABD-1970.

General context (not compound-specific)

  • Small-molecule ligands in screening collections are used to probe biochemical pathways by modulating protein function (e.g., enzymes, receptors, transporters). They serve as starting points for chemogenomic studies and for mapping structure–activity relationships.
  • Without target data, ABD-1970 should be treated as an uncharacterized research ligand. Any observed biological effects must be verified with orthogonal assays, counterscreens, and appropriate controls (e.g., inactive analogs, thermal shift vs. activity correlation).
Buffer Applications

Applicability

  • ABD-1970 is a small-molecule screening ligand, not a buffering agent. No buffer system parameters (pKa, buffering range) are available or expected for this item.

Practical note (general)

  • When formulating assay buffers for ligand testing, maintain constant ionic strength and pH using established buffers (e.g., HEPES, Tris, phosphate). Keep final organic cosolvent (DMSO/EtOH) constant across wells to avoid assay drift.
  • Solubility aids: Include minimal surfactant (0.01–0.05% Tween 20) or serum albumin if consistent with assay design to mitigate precipitation and nonspecific adsorption.
Green Alternatives

Context

  • Specific solvent/process details for ABD-1970 are not provided; guidance below addresses typical handling of small-molecule ligands.

Greener practices (general)

  • Solvent minimization: Prepare concentrated DMSO stocks to reduce overall organic volumes in assays; target final organic ≤1% v/v where feasible.
  • Alternative vehicles: Where solubility allows, consider greener solvents such as propylene carbonate (PC) or bio-derived 2-MeTHF for synthetic steps; for assay prep, ethanol (Class 3 solvent) may be preferable to DMF.
  • Packaging and waste: Consolidate plate formatting to reduce plastic waste; use glass vials for stock storage to enable reuse and minimize leachables.

Illustrative comparison (general; not item-specific)

  • DMF vs. Ethanol: DMF offers higher solvation power for polar/ionic motifs but is reproductive-toxic; ethanol is greener but may limit solubility.
  • MeCN vs. IPA: MeCN is volatile/toxic; IPA is less hazardous but may not support high-concentration stocks.
  • DCM/THF for synthesis: Consider cyclopentyl methyl ether (CPME) or 2-MeTHF as greener ethers; water/acetonitrile mixtures can reduce chlorinated solvent use in purification.
Pharmaceutical Uses

Applicability

  • ABD-1970 is supplied for research use only. No pharmacopeial status, excipient role, or manufacturing specification is provided.

General context (not compound-specific)

  • Early-stage ligands are sometimes profiled for developability attributes (solubility, lipophilicity, clearance) during hit-to-lead optimization; however, such evaluations and any formulation roles fall outside the scope of this catalog entry and require item-specific data and regulatory assessments.
Physical Properties

Item-specific facts (from Product Data)

  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.

Literature/general guidance for small-molecule screening ligands (not compound-specific)

  • Physical state: Library ligands are commonly solids or oils at ambient temperature, often supplied as neat material or DMSO stock.
  • Solubility practice: Initial dissolution is typically attempted in anhydrous DMSO (10–50 mM stocks), with subsequent dilution into assay buffers containing carrier cosolvent (0.1–1% DMSO).
  • Hygroscopicity: Many heteroatom-rich ligands can be mildly hygroscopic. Minimize exposure to ambient moisture during weighing/preparation.
  • Additional parameters (BP, MP, logP, pKa, density, nD): Not specified for this item; refer to CoA/Spec Sheet or measure experimentally for your use-case.
Quality and Grades

Item-specific facts (from Product Data)

  • Grade/Purity: Moligand™
  • Research use note: For research use only.

Interpretive guidance (general, explaining the grade)

  • Moligand™ designation: Indicates suitability for small-molecule screening and ligand-discovery workflows. Typical expectations include identity verification (e.g., LC–MS/NMR), assay-ready purity, and compatibility with common screening solvents (e.g., DMSO). Exact acceptance criteria, residual solvent limits, and analytical thresholds are product- and batch-specific.
  • What is specified here vs. what is not: Product Data confirms Moligand™ grade and room-temperature storage. Numerical purity, water content, residual metals/solvents, and UV cutoff are Not specified for this item; refer to CoA/Spec Sheet.
  • Practical implications: For HTS or probe development, confirm batch CoA for purity, identity, and chromatographic behavior, especially if using optical readouts sensitive to UV background or fluorescence.
Reaction and Applications

Item-specific facts (from Product Data)

  • Manufacturer applications: Not specified.

Applicability statement

  • As supplied under Moligand™, ABD-1970 is positioned primarily as a screening ligand/chemical probe candidate rather than a synthetic reagent. Without structural information, specific reaction roles (e.g., nucleophile, electrophile, cross-coupling partner) cannot be defined.

General research applications for small-molecule ligands (not compound-specific)

  • Target discovery and validation: Use in biochemical/biophysical binding assays (e.g., enzyme inhibition, thermal shift/DSF, SPR, MST) to evaluate target engagement.
  • Cellular assays: Evaluate phenotypic responses, pathway modulation, or cytotoxicity profiling across cell lines; include vehicle controls and solubility checks.
  • SAR development: If analogs are available, construct matched sets for preliminary SAR and physicochemical optimization.
  • Orthogonal readouts: Pair enzymatic assays with counterscreens (e.g., redox cycling, aggregation controls, PAINS filters) to de-risk artifacts.
Reaction Conditions

Applicability

  • Specific reaction conditions for ABD-1970 are not provided. This item is positioned for screening/assay use, not as a named-reaction reagent.

General guidance for solution preparation (not compound-specific)

  • Stock solutions: Prepare in anhydrous DMSO at 10–50 mM. Record concentration by weight and confirm by UV or quantitative NMR if needed.
  • Dilution: Add stock to assay buffer to reach final working concentration; keep DMSO constant across all samples and controls.
  • Stability checks: Inspect for precipitation upon dilution; if observed, increase temperature slightly (25–37°C), add small co-solvent fraction, or reduce concentration.
  • Light/air sensitivity: If unknown, minimize light exposure and air headspace; purge with inert gas for long-term stocks when feasible.
Safety and Handling

Item-specific facts (from Product Data)

  • GHS classification: Not specified for this item; refer to SDS.
  • Signal word / H-statements / pictograms: Not specified for this item; refer to SDS.
  • Storage conditions: Room temperature (per Product Data).

General laboratory safety guidance for small organic ligands (not compound-specific)

  • PPE: Use lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Handle powders in a fume hood to avoid inhalation.
  • Avoid: Contact with skin/eyes; ingestion; inhalation of dust or aerosols. Prevent exposure to strong oxidizers/reducers and ignition sources until specific hazards are known.
  • First aid (overview): If on skin/eyes, rinse with water for ≥15 min. If inhaled, move to fresh air. If ingested, rinse mouth; seek medical attention. Always follow your institution’s SOPs.
  • Waste: Dispose of as halogenated or non-halogenated organic waste as appropriate after reviewing SDS and local regulations.
  • Note: Definitive hazard information and recommended controls must be taken from the official SDS for ABD-1970.
Solvent Selection

Item-specific facts (from Product Data)

  • No solvent preferences are specified; structure is not provided.

General guidance for screening ligands (not compound-specific)

  • Primary solvent: Anhydrous DMSO is the de facto vehicle for stock solutions (10–50 mM). Verify clarity and stability at intended concentration; warm gently and sonicate if needed.
  • Secondary solvents/co-solvents: DMF, ethanol, or isopropanol can assist dissolution when DMSO alone is insufficient. For aqueous assays, maintain final DMSO ≤1% v/v unless your assay tolerates more.
  • Aqueous vehicles: Use buffer with 0.01–0.05% nonionic surfactant (e.g., Tween 20) when precipitation is observed upon dilution. Filter stocks through 0.2 µm PTFE if particulates form.
  • Polarity considerations: In absence of structure, test a tiered panel—DMSO → DMF → MeCN → EtOH → IPA—to identify the minimal organic fraction required to maintain solubility.
  • Compatibility notes: Avoid adsorptive losses in polypropylene for lipophilic compounds; consider glass vials or low-bind plastics. Guard against water uptake in hygroscopic DMSO stocks.
Storage and Reconstitution

Item-specific facts (from Product Data)

  • Storage conditions: Room temperature.
  • Shipped in: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (not compound-specific)

  • Solid material: Store tightly sealed in a desiccated environment, protected from light. If hygroscopic, use a desiccant and minimize cap-open time.
  • DMSO stocks: Prepare small aliquots (e.g., 50–200 µL) at 10–50 mM. Store sealed under inert gas when possible to limit moisture/oxidation. Avoid repeated freeze–thaw; if freezing, use −20 to −80°C and thaw once before use.
  • Reconstitution: Use anhydrous DMSO initially. If required, add co-solvent (DMF/EtOH) or gentle heat/sonication. Verify clarity; filter through 0.2 µm PTFE if particulates persist.
  • Stability: No item-specific stability data are provided. For critical studies, confirm stability by LC–MS/HPLC over intended storage intervals.
Structure and Identity

Item-specific facts (from Product Data)

  • Product name: ABD-1970 (SKU: A607324)
  • CAS: 2010154-82-0
  • PubChem CID: 122530045
  • InChIKey: 56402 (note: appears truncated/incomplete 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.
  • Grade/Purity: Moligand™

Interpretive notes (general)

  • Without a provided structure (SMILES, InChI, or IUPAC name), specific functional groups, ring systems, or stereochemistry cannot be described for this item. Please consult the product CoA/Spec Sheet for definitive structural identifiers.
  • “Moligand™” items are typically small-molecule ligands intended for screening and chemogenomic applications. Structural diversity and drug-like features are common but must be confirmed per compound.
Synthetic Utility

Applicability statement

  • Without structural information, the reactivity profile and functional group transformations of ABD-1970 cannot be detailed. It is cataloged as a screening ligand rather than a general-purpose synthetic reagent.

General notes (not compound-specific)

  • If used as a building block, consult the CoA/Spec Sheet for functional groups and protective groups present. Standard transformations (couplings, substitutions, reductions/oxidations) depend entirely on the underlying scaffold and must be planned case-by-case.
Target Specificity

Item-specific facts (from Product Data)

  • No target, pathway, or mechanism annotations are provided for ABD-1970.

Applicability note

  • As a small-molecule screening ligand, target specificity must be established experimentally. Use orthogonal biochemical/biophysical assays and appropriate counterscreens to rule out nonspecific mechanisms (aggregation, redox cycling, membrane disruption).

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