GNF2133 - Moligand™,≥98% , CAS No.2561414-56-8

CAS: 2561414-56-8 Cat. No.: G646983 분자식: C₂₄H₃₀N₆O₂ 분자량: 434.53

등급 & 순도 Moligand™, ≥98%

Synonyms

4-Ethyl-N-(4-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-yl)piperazine-1-carboxamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

In Vivo

GNF2133 (30 mg/kg; p.o.) shows good oral absorption with oral bioavailability of 22.3%.

GNF2133 (30 mg/kg; p.o.; once a day for 5 days) shows the ability to proliferate β-cells in vivo.

GNF2133 (3, 10, 30 mg/kg) significantly improves glucose disposal capacity and increased insulin secretion in RIP-DTA mice.

IC50 & Target

DYRK1,DYRK1A(0.0062 μM (IC50)),GSK3β(>50 μM (IC50))

사양

동의어

4-Ethyl-N-(4-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-yl)piperazine-1-carboxamide

사양 및 순도

Moligand™,≥98%

생화학 및 생리적 메커니즘

GNF2133 is a potent and selective DYRK1A inhibitor with IC50s of 0.0062, >50 µM for DYRK1A and GSK3β, respectively. GNF2133 shows good proliferation potency and efficacy on rat and human primary β-cell. GNF2133 significantly improves glucose disposal capa

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

분자량

434.53

화학 및 물리적 특성

• 용해성: DMSO : 4 mg/mL (9.21 mM; ultrasonic and warming and heat to 60°C)

Application Protocols

No manufacturer-validated biological or analytical application protocols are provided for this specific item. The following are general, field-tested procedures for small-molecule screening compounds.

Compound stock preparation (general):

• Weigh the required amount quickly at ambient temperature. Immediately cap and return the vial to −20°C storage with desiccant.
• Prepare a 10 mM DMSO master stock: For example, dissolve 1.0 mg in an appropriate DMSO volume based on the exact molecular weight (Not specified for this item; calculate from CoA once known). Vortex and sonicate gently if needed until fully dissolved.
• Sterile handling (cell assays): Pass stock through a 0.22 µm PTFE or PES filter if sterility is required.

Plate handling:

• Dispense master stock into low-binding polypropylene plates or tubes. For dose–response, perform serial dilutions (e.g., 1:3 or 1:2) in DMSO to create intermediate plates.
• Backfill wells to a constant final DMSO percentage (commonly 0.1–1% v/v) across all controls and treatments.

Controls and QA:

• Include vehicle controls, positive and negative controls, and, where relevant, counterscreens to detect assay interference.
• Confirm concentration by LC–UV/MS when feasible. Inspect for precipitation visually and by plate reader spectral scans.

Documentation:

• Record lot number, preparation date, solvent, and storage conditions for traceability.

Biological Roles

Item-specific biological targets, pathways, and mechanisms are not provided for this product.

Not specified for this item:

• Molecular target(s) or mode of action
• On-/off-target profile, ligand efficiency, or binding constants
• Cellular phenotypes or pathway modulation

General research context (non-item-specific):

• Compounds in screening libraries are typically used to probe biological systems for activity in target-based or phenotypic assays. Any observed activity should be confirmed via orthogonal assays, counter-screens, and control experiments to rule out assay interference (e.g., PAINS behavior, redox cycling, aggregation, fluorescence interference).
• Before attributing a biological role, obtain structural details (from the CoA) and run substructure filters and physicochemical property assessments (cLogP, TPSA, MW) to predict permeability and solubility. Follow up with biophysical validation where possible (e.g., thermal shift, SPR, ITC).

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

Buffer Applications

This section is typically not applicable to discrete small-molecule screening compounds, which are not used as buffer components.

Practical notes for assay buffers (general):

• When preparing working solutions from DMSO stocks, dilute into assay buffer such that the final DMSO percentage is maintained (commonly 0.1–1% v/v) and constant across control and test wells.
• Select buffers that minimize compound precipitation and assay interference (e.g., HEPES, PBS, or Tris at appropriate pH). Include surfactants (e.g., 0.01–0.05% Tween-20) judiciously to reduce nonspecific adsorption if compatible with the assay.

Item-specific buffer role or recipes: Not specified for this item; refer to your assay SOPs.

Green Alternatives

Because GNF2133 is a library screening small molecule (not a process solvent or bulk reagent), green chemistry substitutions are generally not applicable to the substance itself.

General considerations to improve sustainability in use (non-item-specific):

• Solvent minimization: Prepare concentrated DMSO stocks to reduce solvent volumes in assays. Use miniaturized plate formats (384/1536-well) to cut total solvent and waste.
• Safer solvent choices for handling steps: Where possible, favor ethanol or water-containing co-solvent systems over chlorinated solvents for cleaning and sample prep.
• Waste management: Segregate DMSO/organic assay waste from aqueous buffers; employ appropriate container sizes to avoid half-full disposals.
• Energy use: Store batched compounds in shared −20°C freezers with inventory management to minimize door-open time and duplicate storage.

If the compound were to be used in synthetic chemistry:

• Prefer greener reaction media (e.g., 2-MeTHF, CPME, EtOAc, MeOH) over chlorinated solvents when compatible with the compound’s stability (unknown here—verify before adoption).

Note: No item-specific environmental hazard or degradability data are provided; consult the SDS for any ecotoxicological information.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or GMP-related information is provided for this item.

Scope limitation:

• This product is supplied for research use only (per Product Data). It is not intended for human or veterinary use, clinical diagnostics, or as an active pharmaceutical ingredient (API) or excipient.

General note (non-item-specific):

• If transitioning any screening compound toward preclinical development, extensive requalification (identity, purity, polymorph, residual solvents, stability, impurity profile) under appropriate quality systems is required. Such activities are outside the scope of the Moligand™ research grade.

Physical Properties

Item-specific physical property data are not disclosed in the Product Data.

Item-specific (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/computed values:

• No literature values can be reported without a defined structure. Typical values (bp, mp, logP, pKa, density, refractive index, solubility) are compound-dependent and must be taken from the CoA or experimentally determined for the supplied lot.

General guidance (chemistry knowledge, non-item-specific):

• Screening library compounds are often delivered as solids or DMSO stock solutions. If supplied as a solid, many small molecules are soluble in anhydrous DMSO at 10–50 mM; confirm solubility empirically for this item.
• Where aqueous assays are planned, check for precipitation upon dilution from DMSO into buffer and adjust final DMSO percentage (commonly 0.1–1% v/v in assays) to maintain solubility.

Important:

• Do not assume melting point, hygroscopicity, or polymorph form. Verify on receipt or consult the CoA/Spec Sheet and SDS for measured properties specific to this catalog item and lot.

Quality and Grades

Item-specific grade (from Product Data):

• Grade/Purity: Moligand™

What Moligand™ typically denotes (general information):

• A screening-grade small-molecule supplied for discovery research, cheminformatics, and high-throughput/medium-throughput assays. Emphasis is placed on identity verification and suitability for library use rather than application-specific certifications (e.g., pharmacopeial compliance).

Practical implications for users:

• Identity/characterization: Expect provision of identity confirmation (e.g., LC–MS or HRMS, and/or NMR) per lot; request the CoA/Spec Sheet for methods and acceptance criteria.
• Purity reporting: Purity and assay method (e.g., HPLC area %, LC–MS purity) are Not specified for this item; refer to CoA/Spec Sheet. For stringent SAR or biophysical work, confirm purity in-house prior to use.
• Counter-ions/solvates: The salt form or solvate state (if any) is Not specified; refer to CoA/Spec Sheet. Salt/solvate forms impact molecular weight, aqueous solubility, and dosing calculations.
• Residual solvents/water/peroxides/metals/UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.

Use context:

• Suitable for hit identification, chemical probe exploration, and reference control testing in research settings. Not certified for clinical or diagnostic use.

Recommendation:

• For plate-based screening, consider on-receipt requalification (LC–MS, purity check) and solubility scouting in your assay medium to confirm readiness for use.

Reaction and Applications

This product is supplied as a screening-library small molecule (Moligand™) rather than a synthetic reagent. As such, classical synthetic reaction guidance (e.g., as catalyst, reagent, or solvent) is not typically applicable.

Relevant applications for this format (general research use):

• Chemical biology and target discovery: Use as a test article in phenotypic or target-based assays to generate SAR hypotheses.
• Reference/control material: Employ as a comparator in bioassays, biophysical binding studies (e.g., SPR, DSF), or analytical methods.
• Cheminformatics: Include in virtual screening or similarity searches after obtaining the structure from the CoA/Spec Sheet.

Not applicable/Not specified for this item:

• Named-reaction participation, reagent behavior, or catalytic applications: Not specified for this item.

Recommendation:

• If the compound will be derivatized or incorporated into synthetic sequences, obtain full structural and functional-group information (CoA) and perform standard reactivity screens to assess stability toward acids/bases, oxidants/reductants, and common coupling conditions.

Reaction Conditions

Classical reaction condition guidance is not applicable, as GNF2133 is offered as a screening small molecule, not as a reagent or catalyst.

General lab handling (non-item-specific):

• Solution preparation: Dissolve in anhydrous DMSO to prepare 10 mM master stocks unless solubility dictates otherwise. Filter if necessary (0.22 µm PTFE) and aliquot to minimize freeze–thaw.
• Assay dilutions: Prepare serial dilutions in DMSO or buffer, maintaining consistent final solvent percentage across all wells/samples.
• Stability checks: Verify short-term stability at room temperature and bench-light exposure with a small pilot test (LC–MS at 0 and 24 h) before large screening runs.

No item-specific catalytic, stoichiometric, temperature, or time conditions are provided for chemical reactions with this compound.

Safety and Handling

Safety data (item-specific):

• GHS classification, signal word, pictograms, H-statements: Not specified for this item; refer to SDS.

General laboratory precautions (defer to SDS for authoritative guidance):

• Personal protective equipment: Wear lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Handle in a fume hood to avoid inhalation of dust or vapors.
• Avoid contact with skin and eyes. Prevent ingestion and inhalation. Wash thoroughly after handling.
• Storage incompatibilities: Until specific functional groups are known, segregate from strong oxidizers, strong acids/bases, and reactive reducing agents. Keep container tightly closed under inert headspace where feasible to limit hydrolysis/oxidation of sensitive motifs.
• Thermal sensitivity: Store as instructed (−20°C) to minimize decomposition. Allow to equilibrate to room temperature in a desiccator before opening to reduce moisture condensation.
• Spill/first aid (general): For small spills, absorb with inert material, collect in appropriate waste. Skin/eye contact—rinse with water for ≥15 minutes; seek medical attention as needed. Inhalation—move to fresh air; obtain medical advice. Ingestion—notify a supervisor and seek medical attention.
• Waste disposal: Dispose according to institutional chemical waste procedures. Do not discharge to drains.

Note: Obtain and consult the product’s SDS for this exact SKU/lot prior to first use; it supersedes general guidance.

Solvent Selection

Item-specific solubility data are not provided; select solvents based on standard practices for small-molecule screening compounds.

General guidance (non-item-specific):

• Primary stock solvent: Anhydrous DMSO is the default for discovery compounds due to broad solvency and assay compatibility. Begin with 10 mM trial stocks; adjust upwards (up to 50–100 mM) only after confirming full dissolution and stability.
• Alternative organic solvents: DMF or ethanol may dissolve certain scaffolds; however, DMSO remains preferred for most biochemical assays. For purely chemical manipulations, acetonitrile, methanol, or dichloromethane may be appropriate, contingent on functional groups (unknown here).
• Aqueous buffers: Direct aqueous dissolution may be limited. Use co-solvent strategies (0.1–1% DMSO final in assay) or pH adjustment if an ionizable group is present (unknown here; verify via CoA).
• Miscibility profile (typical, literature): DMSO is miscible with water and many organics, enabling straightforward serial dilutions into assay buffers.

Tips for robust results:

• Warm gently (≤37°C) and vortex/sonicate to aid dissolution. Avoid prolonged heating.
• Filter (0.22 µm PTFE) if particulate persists.
• Verify concentration by UV or LC where chromophores permit; avoid assuming extinction coefficients without structure.

Caution:

• Stability in solution (DMSO/water) is scaffold-dependent. Prepare fresh working solutions and minimize freeze–thaw cycles.

Storage and Reconstitution

Item-specific storage and shipping (from Product Data):

• Storage Conditions: Store at −20°C
• Shipped In: Ice chest + Ice pads

General best practices for this format (non-item-specific):

• Upon receipt: Inspect the container for integrity and allow to equilibrate to room temperature in a desiccator before opening to prevent moisture condensation.
• Solid material: If supplied as a solid, store tightly capped under dry, inert atmosphere (desiccant recommended). Prepare aliquots to avoid repeated freeze–thaw and headspace moisture ingress.
• Solutions: If supplied or prepared in DMSO, dispense single-use aliquots and store at −20°C or −80°C depending on stability. Protect from light if a chromophore is suspected; use amber vials/plates.
• Reconstitution: Use anhydrous DMSO as the default solvent. Target 10 mM master stocks unless solubility dictates otherwise. The exact mass-to-volume calculation requires the molecular weight (Not specified for this item; refer to CoA/Spec Sheet).
• Stability monitoring: Periodically re-check purity by LC–MS/LC–UV after prolonged storage. Discard if significant degradation or precipitation is observed.

Labeling and records:

• Clearly label aliquots with compound ID (GNF2133), concentration, solvent, date, and operator initials. Maintain an inventory log to manage freezer storage and minimize door-open time.

Note: For research use only (as per Product Data). Consult SDS for detailed stability and handling precautions.

Structure and Identity

Professional research compound supplied as part of Aladdin’s Moligand screening collection.

Item-specific data (from Product Data):

• SKU: G646983
• Product Name: GNF2133
• CAS: 2561414-56-8
• Grade/Purity: 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.

Structural features:

• Item-specific functional groups, ring systems, heteroatoms, and stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.

Notes for users:

• If you require unambiguous structural identity (SMILES/InChIKey, exact MW, stereochemistry), request the Certificate of Analysis (CoA) or Specification Sheet for this exact lot.
• For cheminformatics registration, use the CAS number (2561414-56-8) as the primary key until the full structure is confirmed from the CoA.

Synthetic Utility

As a Moligand™ screening compound, GNF2133 is not positioned primarily as a synthetic building block, and no functional-group details are provided.

Not specified for this item:

• Functional groups available for derivatization
• Stability toward common synthetic conditions
• Reactivity or participation in named reactions

General guidance if derivatization is contemplated (non-item-specific):

• Obtain full structural information from the CoA/Spec Sheet, then evaluate handles for diversification (e.g., aryl halides for cross-coupling, amines/acids/alcohols for amide/ester/ether formation).
• Run micro-scale scouting for stability under acidic/basic, oxidative/reductive, and metal-catalyzed conditions prior to scale-up.
• If salt or solvate form is present, adjust stoichiometry accordingly for coupling or protection/deprotection steps.

In the absence of item-specific data, treat this material as a finished screening entity rather than a synthetic intermediate.

Target Specificity

Item-specific biological target, selectivity profile, and species reactivity are not provided in the Product Data for GNF2133.

Available data:

• None. No antigen/epitope/clone/isotype information applies (this product is a small molecule, not an antibody or protein reagent).

Guidance (general):

• If target engagement is suspected from screening results, confirm with orthogonal assays and counterscreens against related targets. Determine on-/off-target activity using panels or chemoproteomics as appropriate.

For definitive specificity information, consult internal assay data generated with this item; no manufacturer target data are supplied.

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 2561414-56-8, the molecular formula is C24H30N6O2, and the molecular weight is 434.53 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.