CK1-IN-2 - ≥99% , CAS No.1383376-92-8

CAS: 1383376-92-8 Cat. No.: C1426587 Formula: C₁₇H₁₂FN₃O₂ Molecular Weight: 309.29

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

CK1-IN-2 (compound Nr.4) is a potent CK1 inhibitor with an IC 50 values of 123, 19.8, 26.8, 74.3 nM for CK1a, CK1d, CK1e, p38a, respectively.

Specifications

Specifications & Purity

≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

Molecular Weight

309.29

Application Protocols

Only provide tested application details from the product data. For this item, no protocols or recommended conditions are specified.

• Tested applications: Not specified for this item; refer to CoA/Spec Sheet.
• Recommended working concentrations/dilutions: Not specified for this item; refer to CoA/Spec Sheet.
• Positive controls/standards: Not specified for this item; refer to CoA/Spec Sheet.

Users should develop protocols based on their assay format and consult peer-reviewed literature for CK1 pathway studies, validating concentration ranges, solvent tolerances, and controls under their specific conditions.

Biological Roles

No item-specific biological or target annotation is provided in the Product Data. The name “CK1-IN-2” suggests use as a tool compound in the casein kinase 1 (CK1) pathway; the following is general background for context only.

General background (literature, not item-specific):

• CK1 family: Serine/threonine kinases (e.g., CK1α, δ, ε, and γ isoforms) implicated in regulation of circadian rhythm, Wnt/β-catenin signaling, DNA damage response, and vesicle trafficking.
• Mechanistic role: CK1 isoforms phosphorylate primed and unprimed substrates, often influencing protein stability (e.g., β-catenin turnover) and timing mechanisms (PER protein phosphorylation) in circadian clocks.
• Tool compound use: CK1 pathway modulators are commonly used to dissect phosphorylation cascades, study isoform-specific roles, and benchmark assay systems.

Important limitations:

• Selectivity and potency can vary widely among CK1 tool compounds. Without item-specific data, no assumptions should be made regarding isoform selectivity, cellular potency, or off-target profiles for this product.

Researchers should consult peer-reviewed sources and the product CoA/Spec Sheet for any available target data, and perform internal profiling under their assay conditions.

Buffer Applications

This product is a small-molecule research tool rather than a buffer component. There are no item-specific buffer recipes provided.

General assay buffer guidance for small-molecule kinase studies (literature/practice; not item-specific):

• Enzymatic kinase assays: Common buffers include HEPES or Tris (25–50 mM), pH 7.2–7.5, with 5–10 mM MgCl2, 1–2 mM DTT or TCEP, 0.01–0.05% Tween-20, and ATP at Km or fixed concentrations. Include 0.1–1% DMSO to match compound solvent.
• Cellular assays: Use appropriate culture media; for dosing solutions, dilute DMSO stocks into serum-containing media to final DMSO ≤0.1–0.5% v/v to minimize solvent effects.
• Solubility management: If precipitation is observed upon dilution, increase mixing time, raise temperature slightly (room temp), or adjust DMSO carryover within assay tolerance. Maintain identical solvent controls.

Always confirm compatibility of buffer components with the detection method (fluorescence, luminescence, mobility shift, TR-FRET) and verify that the compound remains in solution at the working concentration.

Green Alternatives

Because CK1-IN-2 is a small-molecule tool rather than a solvent or bulk reagent, “green alternatives” primarily concern solvent choices and handling practices during dissolution, storage, and assay preparation.

Greener practice suggestions (general guidance):

• Prefer aqueous assay buffers with minimal DMSO carryover (≤0.1–0.5% v/v) where compound solubility permits.
• Use lower-toxicity, higher-biodegradability solvents for cleaning/processing (e.g., ethanol, isopropanol) instead of chlorinated solvents when feasible.
• Minimize stock solution volumes by preparing concentrated DMSO stocks and aliquoting to reduce waste and repeated freeze–thaw.
• Implement microscale assays (96-/384-/1536-well) to reduce compound and solvent consumption.

Illustrative comparison (general, not item-specific):

• DMSO vs DMF/NMP: DMSO is generally preferred for bioassays due to lower toxicity and better handling profile; DMF/NMP offer strong solvency but have greater EHS concerns. Choose DMSO when compatible with solubility and biology.
• EtOH/IPA co-solvent: More benign but lower solvency; may be acceptable at low percentages if the compound remains in solution.

Waste and EHS:

• Segregate halogenated vs non-halogenated solvent waste.
• Adopt closed-well plate handling and caps to limit VOC emissions.

Consult your institution’s green chemistry guidelines for detailed policies.

Pharmaceutical Uses

This product is supplied strictly for research use only; no medical, diagnostic, or therapeutic use is intended or implied.

Item-specific pharmacopeial status and formulation roles: Not specified for this item; refer to CoA/Spec Sheet.

General context for small-molecule tool compounds (not item-specific):

• Tool compounds are frequently used as positive/negative controls in discovery-stage assays, target validation, and mechanistic studies. They are not manufactured to GMP standards for clinical use and typically lack compendial monographs.
• Formulation for in vivo research (if pursued under institutional approvals) often requires solubilizing systems (e.g., DMSO/PEG400/saline, cyclodextrins). However, any such use must comply with institutional and regulatory guidelines and is outside the scope of product claims.

For any regulated application, procure appropriate GMP-grade materials and documentation. Consult the SDS and CoA for quality and handling details relevant to research workflows.

Physical Properties

Item-specific physicochemical specifications have not been provided.

• Appearance (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (item-specific): Not applicable/rarely specified for solid research tools; Not specified for this item; refer to CoA/Spec Sheet.
• Density (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Solubility (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• pKa (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index (item-specific): Not applicable for solids; Not specified for this item; refer to CoA/Spec Sheet.

General laboratory guidance (literature/practice, not item-specific):

• Many kinase tool compounds are sparingly soluble in water but soluble in polar aprotic organics (DMSO, DMF) and moderately in alcohols (MeOH, EtOH). Typical DMSO stock concentrations: 1–50 mM depending on solubility.
• For aqueous assays, compounds are commonly diluted from DMSO stocks into buffered saline (e.g., HEPES, PBS) to a final DMSO content of 0.1–1% v/v to maintain solubility while minimizing solvent effects.

Always confirm with the item’s CoA/Spec Sheet for definitive values before experimental planning.

Quality and Grades

Item-specific quality grade and purity are not provided in the Product Data.

• Grade/purity (item-specific): Not specified for this item; refer to CoA/Spec Sheet.

General guidance on grades for small-molecule research tools (context, not item-specific):

• Screening/Library Grade: Typically suitable for biochemical and cellular assays; may emphasize identity and purity by HPLC/LC–MS, with residual solvent and water content within acceptable ranges for screening. Low UV background is often targeted for optical assays.
• Analytical/Reference Standard Grade: Higher stringency on purity, identification by multiple orthogonal methods (NMR, HRMS), and impurity profiling. Used for quantitative bioanalytical method development.
• Stabilizers: Some bioactive compounds include antioxidants or acid/base modifiers to improve shelf life. If present, they should be disclosed on the CoA.

What to check on receipt:

• Verify identity by catalog/lot number and match the CoA for purity method (e.g., HPLC area%), residual solvents, and water content if reported.
• Confirm storage instructions and any light/moisture sensitivity flags.
• For screening use, confirm that the residual DMSO/solvent compatibility aligns with your assay readout (UV/fluorescence).

For definitive grade, assay purity, and acceptance criteria, consult the lot-specific CoA/Spec Sheet.

Reaction and Applications

This product is a bioactive research tool intended primarily for biochemical or cellular studies rather than as a synthetic reagent. No manufacturer application notes are provided.

Applicability to chemical reactions:

• Not typically used as a reagent, catalyst, or solvent in preparative organic synthesis.
• If employed in medicinal chemistry SAR, it may serve as a reference compound/control rather than a building block.

Research applications (general context, not item-specific claims):

• Tool compounds nominally annotated as CK1 pathway modulators are used in enzyme assays, pathway mapping, and probe validation in chemical biology.
• Typical experimental paradigms include in vitro kinase activity assays, cellular pathway readouts (e.g., reporter assays), and target engagement techniques (e.g., CETSA, NanoBRET), subject to availability of validated methods.

Since this listing does not include specific application data, end-users should design assays based on their target biology and consult peer-reviewed literature for assay setup, selectivity profiling, and control compounds. Always confirm solubility, stability, and compound identity before use in critical experiments.

Reaction Conditions

Not typically applicable. This product is supplied as a bioactive research tool rather than a reagent for chemical transformations, and no manufacturer reaction conditions are provided.

General note (for analytical sample prep only, not synthetic use):

• Solutions for LC–MS or HPLC analysis are commonly prepared in acetonitrile/water or methanol/water with 0.1% formic acid or ammonium acetate, depending on ionization mode. Concentrations of 0.1–1.0 mg/mL are frequently adequate for method development, subject to compound solubility and detector sensitivity.

For chemical reactions or material processing, consider dedicated reagents designed for those purposes.

Safety and Handling

Hazard classification for this specific item is not provided in the Product Data. Treat as a laboratory chemical of unknown hazards and consult the SDS for authoritative information.

Item-specific safety data:

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / H-statements / Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (good practice, not item-specific):

• Engineering controls: Handle in a fume hood or well-ventilated area to avoid dust/aerosol exposure.
• PPE: Lab coat, safety glasses, and appropriate chemical-resistant gloves (nitrile). Avoid skin contact, ingestion, and inhalation of dust.
• DMSO considerations: If preparing concentrated DMSO stocks, avoid skin contact as DMSO can enhance dermal absorption of solutes.
• Incompatibilities: Avoid strong oxidizers and strong acids/bases unless verified compatible. Keep away from ignition sources when using organic solvents.
• First aid (overview): If inhaled—move to fresh air; if on skin—wash with soap/water; if in eyes—rinse cautiously with water for several minutes; if ingested—rinse mouth and seek medical attention. Provide the SDS to medical personnel.
• Waste: Dispose of according to institutional and local regulations for organic laboratory chemicals.

Always defer to the product’s SDS and institutional EHS policies for detailed hazard, exposure limits, and emergency measures.

Solvent Selection

This compound is supplied as a small-molecule research tool; solvent choice is typically driven by assay type and required concentration. Item-specific solubility data are not provided.

General solvent strategy for kinase tool compounds (literature/practice):

• Primary solvent: DMSO is the default for preparing concentrated stocks (e.g., 10–50 mM), thanks to broad solubilizing power and biological assay compatibility at ≤0.5–1% v/v final.
• Secondary options: DMF, NMP (strong solubilizers; use sparingly in biological systems), or alcohols (MeOH, EtOH) for analytical sample prep. For aqueous assays, dilute DMSO stocks into buffered saline (PBS, HEPES) with vortexing/sonication.
• Avoid: High final percentages of organic solvent that perturb enzyme activity or cells; test solvent controls alongside compounds.

Comparison (general considerations, not item-specific):

• DMSO: Highest solvency; low volatility; compatible at low % in bioassays. May enhance dermal absorption—use PPE.
• EtOH/MeOH: Lower solvency; higher volatility; can be acceptable at ≤0.5–1% but may affect membrane integrity in cells.
• Aqueous with cosolvent: Improves biocompatibility; risk of precipitation if below solubility threshold.

Best practice:

• Start with a small-scale solubility check in DMSO; inspect for clarity and stability over 24 h at room temperature and 4 °C.
• Filter (0.2 µm PTFE) or centrifuge to clear particulates prior to critical assays.
• Always confirm item-specific guidance on the CoA/Spec Sheet when available.

Storage and Reconstitution

Item-specific storage and shipping:

• Storage Conditions: Store at -20°C (per Product Data).
• Shipped In: Ice chest + ice pads (per Product Data).

Additional handling guidance (general good practice; not item-specific specifications):

• Protect from light and moisture. After first opening, allow vial to warm to room temperature in a desiccator before unsealing to minimize condensation.
• Reconstitution: If compatible with your assay, dissolve in anhydrous DMSO to prepare a concentrated stock (e.g., 10 mM); mix thoroughly and confirm clarity. If precipitation occurs upon dilution into aqueous buffers, increase mixing time, adjust DMSO carryover within assay tolerance, or gently warm to room temperature.
• Aliquoting: Dispense single-use aliquots to avoid repeated freeze–thaw. Store aliquots at -20°C (or per CoA guidance). Record preparation date and concentration on each aliquot.
• Freeze–thaw: Minimize cycles; thaw at room temperature, mix, and promptly return unused portions to storage. Inspect for precipitation or discoloration prior to use.

For definitive stability, shelf life, and reconstitution solvents acceptable for this specific lot, consult the CoA/Spec Sheet and SDS.

Structure and Identity

Brief overview: CK1-IN-2 is listed as a small-molecule research compound in a screening library, commonly referenced in the literature as a casein kinase 1 (CK1) pathway tool. Item-specific structural identifiers are not provided in the Product Data.

• SKU: C1426587
• Product Name: CK1-IN-2
• CAS: 1383376-92-8
• Category: Small molecule/compound library (research use)
• Molecular formula (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• SMILES (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey (item-specific): Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general literature context, not item-specific data):

• CK1 tool compounds typically contain heteroaromatic cores (e.g., pyridines, quinazolines, benzimidazoles) with H-bond donor/acceptor motifs compatible with the kinase hinge region, plus solubilizing substituents.
• 2D description (general for ATP-competitive kinase tools): planar heteroaromatic ring system engaging hinge via one or two H-bonds; appended hydrophobic/aromatic substituents occupying gatekeeper-adjacent pocket; possible basic center to enhance solubility.

Important note: Exact structure and stereochemistry for this catalog item are not specified above. Consult the CoA/Spec Sheet and SDS for definitive identifiers and structure.

Synthetic Utility

This catalog item is intended as a finished small-molecule tool, not a synthetic intermediate. No item-specific functional group information is provided.

Non-applicability:

• Not typically employed as a reagent, catalyst, or monomer in synthetic chemistry.

General medicinal chemistry context (literature, not item-specific):

• CK1-directed tool compounds in the literature often feature heteroaromatic scaffolds with hinge-binding motifs (e.g., amide, urea, aza-heterocycles). While such features are synthetically versatile, this product is ordinarily used as a reference tool rather than as a building block.

If derivatization or SAR exploration is desired, consult primary literature for the specific scaffold and consider procuring starting materials or intermediates intentionally designed for chemical modification. Always ensure that IP and licensing considerations are addressed before derivative work.

Target Specificity

Only provide information from product data. For this item, target details are not specified.

• Target/Pathway: Not specified for this item; refer to CoA/Spec Sheet.
• Isoform selectivity: Not specified for this item; refer to CoA/Spec Sheet.
• Potency metrics (IC50/Ki/Kd): Not specified for this item; refer to CoA/Spec Sheet.
• Off-target profile: Not specified for this item; refer to CoA/Spec Sheet.

Note: The name suggests relevance to CK1 research in general, but no item-specific specificity data are provided here.