KT-109 - Moligand™ , Inhibitor of αβ-Hydrolase 6;Inhibitor of Diacylglycerol lipase α;Inhibitor of Diacylglycerol lipase β, CAS No.1402612-55-8, Inhibitor of αβ-Hydrolase 6;Inhibitor of Diacylglycerol lipase α;Inhibitor of Diacylglycerol lipase β

CAS: 1402612-55-8 Cat. No.: K611360 Fórmula: C27H26N4O Peso molecular: 422.52 Número EC: 110-028-6 PubChem CID: 53364540
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.
Synonyms
KT109
Storage
Room temperature
★
Size
USA
Alemania (EU)*
Price
Qty
5mg
K611360-5mg
Fabricado bajo pedido · 8–12 semanas
296,90US$
25mg
K611360-25mg
Fabricado bajo pedido · 8–12 semanas
1.475,90US$
Enter a quantity for the sizes you want to add.
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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.

📋

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

Sinónimos
KT109
Especificaciones y pureza
Moligand™
Condiciones de almacenamiento de almacenamiento
Room temperature
Grado
Moligand™
Tipo de acción
INHIBITOR
Mecanismo de acción
Inhibitor of αβ-Hydrolase 6;Inhibitor of Diacylglycerol lipase α;Inhibitor of Diacylglycerol lipase β
Nombres e identificadores
Sonrisas canónicasC1CCN(C(C1)CC2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)C5=CC=CC=C5
IUPAC Name(2-benzylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone
InChIKeyJKJMWHULJIOKPJ-UHFFFAOYSA-N
INCHI1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
Isómeros SMILES C1CCN(C(C1)CC2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)C5=CC=CC=C5
PubChem CID 53364540
Peso molecular 422.52

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

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasePiperidines
SubclassBenzylpiperidines
Intermediate Tree Nodes Not available
Direct Parent2-benzylpiperidines
Alternative Parents Biphenyls and derivatives  Phenyl-1,2,3-triazoles  Piperidinecarboxamides  Heteroaromatic compounds  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2-benzylpiperidine - Biphenyl - Phenyltriazole - Phenyl-1,2,3-triazole - 1-piperidinecarboxamide - Piperidinecarboxamide - Monocyclic benzene moiety - Benzenoid - Azole - Triazole - 1,2,3-triazole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as 2-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 2-position of a piperidine.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
DAGLB Tchem Sn1-specific diacylglycerol lipase beta (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
DAGLA Tchem Sn1-specific diacylglycerol lipase alpha (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABHD6 Tchem Monoacylglycerol lipase ABHD6 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
DAGLA Tchem Sn1-specific diacylglycerol lipase alpha (416 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DAGLB Tchem Sn1-specific diacylglycerol lipase beta (17 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:
Propiedades químicas y físicas
Peso molecular422.500 g/mol
XLogP35.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass422.211 Da
Monoisotopic Mass422.211 Da
Topological Polar Surface Area51.000 Ų
Heavy Atom Count32
Formal Charge0
Complexity592.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
Reseñas

Reseñas de cliente

Application Protocols

No tested applications, recommended concentrations, or assay protocols are provided in the Product Data for KT‑109.

General starting points for small‑molecule assays (not product specifications):

  • Stock solution: 10–50 mM in DMSO (anhydrous). Store in single‑use aliquots to avoid freeze–thaw cycles.
  • Dose–response: 10‑point 3‑fold or 12‑point 2‑fold serial dilutions covering ~0.1 nM to 100 µM as appropriate for the assay sensitivity; maintain constant vehicle percentage across wells.
  • Controls: Include vehicle controls, positive controls (if available), and orthogonal readouts to exclude interference or aggregation.
  • Analytics: Confirm identity/purity in working solutions by LC–MS and, where needed, UV/Vis to check for unexpected chromophores that might affect readouts.

Please refer to your laboratory’s validated SOPs and the literature associated with the CAS/CID for assay‑specific guidance. This product is supplied for research use only.

Biological Roles

The Product Data do not specify a biological target or mechanism for KT‑109. Therefore, any biological role must be determined empirically by the end user or obtained from independent literature sources.

General guidance for small‑molecule library members (not item-specific claims):

  • Potential roles may include acting as an enzyme modulator, receptor ligand, pathway probe, or chemical biology tool compound. Verification requires target engagement assays and orthogonal confirmation (e.g., CETSA/DSF, SPR/ITC, activity‑based profiling, or proteomics as appropriate).
  • Assess selectivity across potential off‑targets using counterscreens and, where feasible, panel profiling to avoid misleading phenotypes.
  • Evaluate basic ADME‑relevant properties (solubility, stability in buffer/media, permeability surrogates, and nonspecific binding) to contextualize cellular assay outcomes. These are experiment‑specific and not provided for this item.
  • Consider photostability and redox activity as potential sources of assay interference; shield from strong light until stability is known.

Important: No clinical, diagnostic, or therapeutic use is implied. This product is supplied strictly for research use only, as stated in the Product Data.

Buffer Applications

KT‑109 is a discrete small molecule rather than a buffering agent. As such, it does not provide pH buffering capacity and is not typically used to prepare buffers.

Practical notes for assay buffers (general guidance):

  • Prepare assay‑compatible buffers (e.g., HEPES, phosphate, Tris at appropriate pH/ionic strength) independently of the compound. Validate that the final DMSO content from stock dilutions does not alter pH or enzyme activity.
  • Include non‑ionic detergents at low levels (e.g., 0.01–0.05% Tween‑20) if aggregation is suspected; confirm that detergent does not disrupt your readout.
  • For metal‑sensitive assays, use metal‑free water and plasticware; chelators (e.g., EDTA) only if compatible with the biological system.

Item-specific buffer recipes, pKa values, and compatibility data are not specified for this product; determine empirically for your application.

Green Alternatives

For discrete screening compounds like KT‑109, “green alternatives” focus on solvent choices and handling practices rather than replacing the molecule itself.

Greener handling strategies (general guidance):

  • Prefer aqueous assay buffers with minimal organic cosolvent. Keep DMSO ≤0.1–0.5% v/v where the assay allows.
  • When organic solvent is required for analytics, choose acetonitrile or ethanol in place of halogenated solvents. Use micro‑scale methods and low‑flow LC to reduce solvent consumption.
  • Implement miniaturized screening formats (384/1536‑well) to cut solvent and compound usage.
  • Use sealed plates and cold storage for working decks to extend solution life and reduce repeat preparations.
  • Consolidate compound shipments and use room‑temperature shipping when stability allows (this item indicates room‑temperature storage), reducing cold‑chain impacts.

Illustrative comparison (solvent perspective; literature/general):

  • DMSO: high solvency; limited biodegradability issues and hygroscopic. Manage water uptake to avoid repeated preparations.
  • ACN vs. MeOH: ACN offers lower viscosity and better MS compatibility; MeOH is more benign toxicologically but can increase UV background.
  • IPA/EtOH in sample prep: more worker‑friendly than chlorinated solvents; verify assay tolerance.

Note: No item‑specific hazard or environmental fate data are provided. Apply institutional green‑chemistry policies and assess lifecycle impacts of your chosen workflow.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing specifications are provided for this item.

Context (general, non-clinical):

  • KT‑109 is supplied as a research‑grade small molecule (Moligand™). It is not indicated for use as an active pharmaceutical ingredient, excipient, or in any clinical/diagnostic setting.
  • For formulation‑like studies in research (e.g., preformulation or delivery method prototyping), users typically assess solubility in biocompatible vehicles (PEGs, Captisol, saline with cosolvents) and evaluate stability; however, such work is at the researcher’s discretion and outside the scope of this catalog entry.

Regulatory note:

  • This product is designated For research use only (from Product Data). No statements herein should be construed as suitability for human or veterinary administration.

If cGMP or pharmacopeial compliance is required, a different grade and full regulatory documentation would be necessary; those attributes are not specified for this item.

Physical Properties

Item-specific physicochemical constants have not been provided in the Product Data. Do not treat any value below as a product specification; use the CoA/Spec Sheet for authoritative numbers.

  • 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.
  • Refractive index: Not applicable (typically for liquids); for solids, N/A.
  • Solubility: Not specified for this item; refer to CoA/Spec Sheet.
  • LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
  • pKa: Not specified for this item; refer to CoA/Spec Sheet.

Practical guidance (general, literature/expert practice):

  • For small-molecule screening compounds, initial dissolution is commonly done in anhydrous DMSO (e.g., 10–50 mM stock), then diluted into assay buffers/media. Solubility can vary widely; confirm experimentally.
  • If water solubility is poor, cosolvents (DMSO, ethanol) or surfactants (≤0.1% Tween-20 for biochemical assays) are sometimes used; validate against assay interference.
  • Determine solubility and stability empirically by small-scale tests (visual clarity, LC–MS assessment, time-course checks). Avoid freeze–thaw cycling of DMSO stocks to limit precipitation and degradation.
  • If the solid is hygroscopic or photosensitive (unknown here), handle under low humidity and subdued light until confirmed.
Quality and Grades
  • Grade/Purity: Moligand™ (source: Product Data)

What Moligand™ typically signifies (general program description; not a specification):

  • A dedicated small‑molecule/ligand category intended for discovery, screening, and chemical biology workflows. Emphasis is generally placed on identity confirmation (e.g., LC–MS, NMR) and purity appropriate for research screening.
  • Typical documentation may include structural identifiers and analytical traces; however, for this specific item, exact analytical methods, purity percentage, and impurity limits are not specified; refer to CoA/Spec Sheet.

Implications for use:

  • Compounds in screening collections are commonly supplied to support high‑throughput or targeted assay campaigns. Users should confirm suitability for their specific assay (e.g., UV background, fluorescence interference, aggregation propensity) prior to large‑scale studies.
  • If ultra‑low UV absorbance or specific trace‑metal limits are critical (e.g., for LC–UV methods or catalytic studies), verify these requirements with the CoA because such parameters are not specified for this item.

What is item-specific vs. general:

  • Item-specific: SKU K611360, designation KT-109, CAS 1402612‑55‑8, CID 53364540, storage at room temperature.
  • General (non-binding): the Moligand™ positioning described above. Do not construe as a guarantee of purity, assay, or stabilizer content for this particular lot; consult the CoA for authoritative details.
Reaction and Applications

This product is positioned as a small‑molecule/ligand for research screening and chemical biology, not as a general synthetic reagent.

  • Synthetic reaction applications: Not typically applicable. No item‑specific reactivity or functional-group data are provided. If you intend to derivatize or immobilize the molecule, consult the CoA/SDS and perform small‑scale feasibility studies.

Research and screening applications (general guidance for library compounds):

  • Assay development: Prepare serial dilutions from DMSO stocks to define potency windows and assay linearity. Include vehicle controls matched for DMSO percentage.
  • Orthogonal confirmation: Combine biochemical readouts (e.g., enzyme inhibition assays) with orthogonal analytics (LC–MS target engagement, thermal shift, or biophysical binding where applicable) to reduce false positives.
  • Counterscreens: Implement aggregation and redox‑cycling controls as appropriate (detergent sensitivity tests, light/dark conditions, or ROS probes) since specific interference liabilities are unknown.
  • Analytical verification: Use LC–MS to confirm identity and purity in your working solution; monitor for degradation during storage and assay incubation.

Note: Without target specificity provided in Product Data, any biological mechanism should be independently verified in your laboratory using appropriate controls and reference standards.

Reaction Conditions

No item-specific reaction conditions are provided, and this product is not positioned as a chemical reagent for synthetic transformations.

General guidance relevant to handling small molecules in solution (not a specification):

  • Dissolution: Prepare concentrated stocks in anhydrous DMSO; vortex and sonicate briefly if needed. Filter through 0.22 µm PTFE to remove particulates before use in assays or analytics.
  • Stability checks: Establish stability in your intended medium (buffer, media) across the relevant temperature/timeframe (e.g., 0–24 h at room temperature or 37 °C). Monitor by LC–MS for degradation or adduct formation.
  • Light/air sensitivity: Unknown for this item; when uncertain, limit light exposure and minimize headspace oxygen, especially during long incubations.
  • Adsorption: For hydrophobic compounds, reduce loss to plastics by using low‑bind labware or glass vials.

If you plan chemical transformations with KT‑109, first obtain the verified structure and carry out micro‑scale scouting experiments to determine suitable solvents, temperatures, and catalysts; none are specified for this product.

Safety and Handling

GHS and hazard details are not provided in the Product Data. Always consult the product SDS before use and treat all unknown small molecules as potentially hazardous.

  • GHS 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 (professional guidance):

  • Wear appropriate PPE: lab coat, safety glasses, and suitable gloves (e.g., nitrile). Work in a certified fume hood when handling powders, volatile solvents, or during weighing and solution preparation.
  • Avoid inhalation of dust/aerosols; minimize skin and eye contact. Use antistatic measures when weighing fine powders.
  • Incompatibilities (general): strong oxidizers, strong acids/bases, and reactive metals may be incompatible depending on functional groups (item-specific incompatibilities are unknown).
  • First aid (overview; defer to SDS):
    • Inhalation: move to fresh air; seek medical advice.
    • Skin/eyes: rinse with water for at least 15 minutes; remove contaminated clothing; seek medical advice.
    • Ingestion: rinse mouth; do not induce vomiting; seek medical attention.
  • Spill response: contain solid with dampened disposable towels or HEPA-filter vacuum; for solutions, absorb with inert material. Dispose according to institutional and local regulations.
  • Fire-fighting: use CO2, dry chemical, or foam as appropriate for surrounding materials; combustion products may be harmful—firefighters wear SCBA.

Note: Without item-specific hazard data, adopt a conservative, risk-based approach and validate handling protocols with your EHS team.

Solvent Selection

Because item-specific solubility data are not provided, select solvents empirically based on small-scale trials. The following guidance reflects common practice for small-molecule screening compounds (general literature/expert guidance, not product specifications):

  • Primary stock solvent: DMSO (anhydrous) is usually preferred for initial dissolution at 10–50 mM. Filter (0.22 µm PTFE) if particulates remain.
  • Aqueous work: Dilute DMSO stocks into assay buffer or media. Keep final DMSO ≤0.1–1% v/v to minimize biological interference; confirm tolerance for your assay system.
  • Alternative solvents: Acetonitrile, ethanol, or isopropanol may be effective for certain chemotypes. For HPLC analyses, ACN/water or MeOH/water with volatile buffers (e.g., ammonium formate/acetate) are typical.
  • Cosolvent systems: For challenging solubility, ternary mixtures (e.g., DMSO/ACN/water) can help; avoid non-volatile additives that complicate analytics.
  • pH modulation: If ionizable groups are present (unknown here), modest pH adjustment of the aqueous phase may increase apparent solubility; beware of decomposition pathways.

Quick comparison (general use-cases):

  • DMSO: highest solvating power for diverse scaffolds; hygroscopic—limit water uptake.
  • ACN: LC‑MS friendly, low viscosity; poorer for highly lipophilic solids.
  • EtOH/iPrOH: biologically tolerated at low percentages; higher UV background than ACN.

Always verify solvent effects on your readout (absorbance/fluorescence, aggregation, or enzyme inhibition artifacts).

Storage and Reconstitution
  • Storage conditions (as supplied): Room temperature (source: Product Data). Protect from excessive heat and moisture. Until stability is confirmed, store in a closed, inert container away from light.
  • Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.

Reconstitution (general guidance for small molecules; not a specification):

  • Prepare concentrated stocks in anhydrous DMSO (typ. 10–50 mM). Mix thoroughly; brief sonication may help dissolution. If insoluble, consider ACN, EtOH, or mixed solvents, then dilute into buffer.
  • Sterile work: For cell‑based assays, pass solutions through 0.22 µm filters when compatible with the solvent system.
  • Aliquoting: Dispense single‑use aliquots in amber vials or plates to minimize adsorption and avoid freeze–thaw.

Solution storage (general best practice):

  • DMSO stocks: Store at −20 °C to extend shelf life; avoid repeated freeze–thaw (use pre‑aliquoted format). Allow to equilibrate to room temperature before opening to limit moisture uptake.
  • Aqueous working solutions: Prepare fresh on the day of use unless stability is validated by LC–MS.

Always defer to the product CoA/SDS for authoritative handling and storage guidance. Research use only (as stated in Product Data).

Structure and Identity
  • Product name: KT-109 (SKU: K611360)
  • CAS: 1402612-55-8 (source: Product Data)
  • PubChem CID: 53364540 (source: Product Data)
  • InChIKey: Not specified for this item; refer to CoA/Spec Sheet. (Product Data field shows a placeholder “162719,” which is not a standard InChIKey format.)
  • 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 (general guidance):

  • Item-specific functional groups and ring systems are not specified in the provided data. For unambiguous structural details, consult the product’s CoA/SDS or authoritative databases using the CAS or CID.
  • For small-molecule library members, typical features may include one or more aromatic/heteroaromatic rings, hydrogen-bond donors/acceptors, and lipophilic moieties; however, these are general attributes and not confirmed for this item.

2D structure description:

  • A 2D line structure cannot be described without a verified SMILES/InChI; please refer to the Spec Sheet/CoA or the PubChem entry corresponding to the provided CAS/CID for an authoritative depiction.
Synthetic Utility

KT‑109 is offered as a discrete bioactive/screening compound rather than a synthetic building block. No functional-group or reactivity data are provided that would support its use as a general reagent or intermediate.

  • Synthetic applications: Not typically applicable for routine bond‑forming chemistry without prior structure confirmation and feasibility assessment.
  • If derivatization is desired (e.g., for probe development, biotinylation, or immobilization), obtain the verified structure (CoA/Spec Sheet or authoritative databases via CAS/CID) and evaluate the presence of modifiable handles (amines, phenols, carboxylates, halides, etc.). Any such strategies are contingent on confirmed functionality, which is not specified here.
  • Analytical control: For any modification attempts, establish an LC–MS/NMR baseline for the parent compound, then confirm conversion, purity, and stability of derivatives under your chosen conditions.

Conclusion: Treat KT‑109 primarily as a research ligand/compound for screening and mechanistic studies rather than a general synthetic reagent, unless you have independently confirmed structural features supporting derivatization.

Target Specificity
  • Target/epitope, species reactivity, clone/isotype: Not applicable. This product is a small molecule, not an antibody or biologic.
  • Item-specific target or selectivity profile: Not specified for this item; refer to CoA/Spec Sheet and primary literature linked to the CAS/CID if needed.

Guidance (general, for small‑molecule ligands):

  • Establish target engagement using orthogonal methods appropriate to the hypothesized mechanism (e.g., enzymatic IC50/Ki determination, thermal shift/DSF, SPR/ITC, chemoproteomics).
  • Characterize off‑target activity with counterscreens or profiling panels to define selectivity windows.

No vendor‑verified target specificity is provided in the Product Data for KT‑109.

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