CLK1-IN-2 - ≥98% , CAS No.3029431-68-0

CAS: 3029431-68-0 Cat. No.: C1426564 Fórmula: C₁₆H₁₂Cl₂N₂O₂S Peso molecular: 367.25

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

CLK1-IN-2 is metabolically stable Clk1 inhibitor. CLK1-IN-2 has selectivity for Clk1 with an IC 50 value of 1.7 nM. CLK1-IN-2 can be used for the research of tumour, Duchenne's muscular dystrophy and viral infections such as HIV-1 and influenza.

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

Peso molecular

367.25

Application Protocols

No tested/validated application protocols are provided for this specific item. The following are general RUO guidelines for small-molecule inhibitors; optimize per assay and consult the CoA/SDS.

Stock preparation (generic):

• Weigh compound quickly to minimize atmospheric exposure. Prepare a 10–50 mM stock in anhydrous DMSO. Vortex and, if necessary, sonicate briefly. Filter through 0.22 µm PTFE if particle-free solutions are required.

Biochemical kinase assay (generic outline):

• Buffer: 25–50 mM HEPES pH 7.4, 10 mM MgCl2, 1 mM DTT, 0.01% Tween-20.
• Add enzyme and substrate (e.g., SR protein fragment/peptide as relevant to CLK biology). Titrate compound (e.g., 10-point half-log series). Maintain constant DMSO across wells (≤0.5%). Incubate 30–60 min at 25–30 °C. Quantify conversion via ADP-Glo, radiometric, or TR-FRET formats.

Cell-based assay (generic outline):

• Seed cells to 60–80% confluence. Treat with serial dilutions ensuring matched vehicle. Incubate 2–24 h for acute signaling; 24–72 h for splicing outcomes. Readouts: Western blot for phospho-SR proteins, qPCR/RNA-seq for splicing changes, viability control.

Note: Concentration ranges, incubation times, and detection methods must be validated for this specific compound; no item-specific values are supplied.

Biological Roles

Item-specific biological potency, selectivity, and mode-of-action are Not specified for this item; refer to CoA/Spec Sheet.

General context (literature) about the nominal target class:

• CLK1 (CDC-like kinase 1) is a serine/threonine kinase that phosphorylates SR proteins, regulating pre-mRNA splicing. Modulation of CLK1 activity can shift splicing patterns and alter RNA processing networks.
• Chemical probes targeting CLK family kinases are used to dissect splicing-dependent pathways and to study crosstalk with other kinases (e.g., DYRK, SRPK). Off-target profiling is essential because many ATP-competitive inhibitors exhibit kinase family cross-reactivity at higher concentrations.
• Typical experimental readouts include: SR protein phosphorylation status (Western blot with phospho-specific antibodies), RNA-seq for splicing changes, and cellular phenotypic assays sensitive to spliceosome perturbation.

Caveat:

• Without item-specific data, do not assume on-target engagement or selectivity for this catalog entry solely from the name. Establish target engagement using orthogonal assays and concentration ranges that avoid cytotoxic artifacts.

Buffer Applications

This product is not a buffering agent. However, appropriate buffers are crucial for biochemical and cell-based assays involving small-molecule probes.

General guidance (generic):

• Biochemical kinase assays: HEPES or Tris buffers (e.g., 20–50 mM, pH 7.2–7.5) with Mg2+/Mn2+ as required by the enzyme system, 0.005–0.01% Tween-20 to reduce nonspecific binding, 1–2 mM DTT if redox stability allows. Maintain ≤0.1–0.5% DMSO from the compound stock.
• Cell culture: Use standard media (e.g., DMEM/RPMI) with serum as appropriate; adjust vehicle control to match final DMSO content across all wells.
• Solubility and precipitation checks: After diluting the DMSO stock into buffer, inspect for turbidity; if present, consider co-solvent adjustment, pH optimization, or lower concentration ranges.

Item-specific buffer compatibility and pH stability are Not specified for this item; verify experimentally.

Green Alternatives

Green chemistry considerations center on solvent and waste minimization for small-molecule probe handling.

• Prefer aqueous buffers with minimal DMSO (≤0.1–0.5% v/v) where solubility permits. This reduces reliance on high-boiling, poorly biodegradable dipolar aprotic solvents.
• If organic dissolution is required, consider ethanol or isopropanol as greener co-solvents when compatible with the assay and solubility; validate stability and performance.
• Minimize volume of DMF/NMP; avoid chlorinated solvents for cleaning when alternatives suffice (e.g., ethanol, acetone).
• Use microscale assay formats (384/1536-well plates) to cut solvent consumption and chemical waste.

Trade-offs (generic):

• Greener alcohols often provide lower solubility than DMSO for hydrophobic probes, potentially necessitating higher solvent percentages that may compromise biological systems.
• Buffered aqueous media are ideal environmentally, but precipitation or adsorption losses can skew dose–response curves. Empirically determine the highest % aqueous feasible without compromising compound availability.

Note: No item-specific solvent hazards or stabilizers are provided; consult the SDS and CoA before selecting greener workflows.

Pharmaceutical Uses

Regulatory/usage status (item-specific):

• Supplied strictly for research use only (RUO). Not specified for this item to meet any pharmacopeial monograph. Not for human or veterinary use, diagnostic procedures, or as an API/excipient.

Formulation and development context (generic):

• Discovery-stage tool compounds are commonly formulated for in vitro use as DMSO stocks and for in vivo exploratory studies using vehicles such as 10–20% PEG400, 10% Solutol HS 15/Kolliphor, or 5–10% ethanol with saline or citrate buffer. These are provided as general examples only; no suitability is implied for this specific item.
• Solid form and salt state strongly influence developability (solubility, stability). Because this item’s salt/form and purity are Not specified, no formulation advice specific to the batch can be given.

Important: This catalog product is RUO; it is not manufactured under GMP, and no statements are made regarding clinical safety, efficacy, or quality attributes required for medicinal use.

Physical Properties

Item-specific values (as supplied):

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Purity/Grade: 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 applicable for a typical nonvolatile bioactive solid; specific data 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 to a solid; Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.

General handling expectations for kinase inhibitor-like small molecules (literature/generic):

• Many heteroaromatic kinase probes are crystalline or amorphous solids with limited aqueous solubility; they are commonly prepared as concentrated DMSO stocks (e.g., 10–50 mM) and diluted into aqueous assay buffers with final DMSO ≤0.1–0.5% v/v.
• Aqueous solubility and ionization state depend strongly on specific substituents (basic amines, sulfonamides, heteroaryl nitrogens). Do not assume solubility or pKa without the provided structure—verify experimentally or via CoA.

Quality and Grades

Item-specific details:

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.

Interpretation and best practices:

• For small-molecule screening probes like CLK1-IN-2, catalog offerings are typically research grade, intended for in vitro/in vivo laboratory research (non-clinical). Purity is commonly established by HPLC/LC–MS and supported by NMR where applicable. Absence of a stated grade or UV specifications means no inference should be made—consult the CoA.
• Stabilizers: Not specified for this item; refer to CoA/Spec Sheet. If stabilizers/antioxidants are present, they can affect bioassay readouts; review the CoA before sensitive assays.
• Quality controls to expect (generic): Identity confirmation (LC–MS or HRMS), purity by HPLC, and, if applicable, residual solvent assessment. Some libraries also assign salt forms—verify free base vs. salt on the label.
• For chromatographic or spectroscopic applications, low-UV-absorbing grades (e.g., HPLC grade solvents) are irrelevant here; the key for bioassays is chemical identity, purity, and batch-to-batch consistency.
• Recommendation: Document the lot number and retain a portion for confirmatory QC (e.g., independent LC–MS) when results will be used in SAR or screening funnels.

Reaction and Applications

This product is a research small molecule intended as a chemical probe; it is not typically used as a synthetic reagent or catalyst.

Applicable research applications (general/generic for target-focused small molecules):

• Tool compound in biochemical assays to interrogate CLK1-associated signaling and splicing biology. Use in enzyme inhibition assays, thermal shift assays (DSF), or binding assays (e.g., SPR) to characterize engagement. Item-specific potency/selectivity data are Not specified for this item; consult CoA/Spec Sheet and literature.
• Cell-based assays: Evaluate pathway modulation with appropriate controls (vehicle, inactive analogs, genetic knockdown). Determine cytotoxicity (e.g., CellTiter-Glo) alongside functional readouts to set non-toxic working ranges.
• Chemoproteomics/target engagement (if functional groups permit): CETSA, NanoBRET, or activity-based profiling may be adapted; feasibility depends on the compound’s structure, which is Not specified here.

Non-applicable synthetic roles:

• Named organic reactions, cross-couplings, or reagent roles are not relevant without repurposing the molecule; prioritize bioassay-centric applications.

Reaction Conditions

Not typically applicable. CLK1-IN-2 is intended as a biological research probe rather than a reagent for chemical transformations.

Assay-related conditions (generic guidance):

• Enzyme assays: 20–37 °C, buffered aqueous media (HEPES/Tris), ≤0.1–0.5% DMSO final, incubation times 15–120 min depending on assay sensitivity. Include time-course to confirm steady-state readouts and assess compound stability.
• Cell assays: Dose–response across ~8–12 half-log dilutions starting below anticipated activity; maintain consistent vehicle. Exposure times 2–24 h for acute signaling readouts; longer for transcriptional/splicing changes. Confirm compound stability in media (adsorption to plastic/serum binding can reduce free concentration).

Note: Expected potencies, kinetic parameters, and stability are item-specific and Not specified for this item. Establish empirically and consult the SDS/CoA for any constraints (light sensitivity, pH sensitivity).

Safety and Handling

GHS/SDS information (item-specific):

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

General laboratory safety guidance (not item-specific; follow institutional SOPs):

• Wear appropriate PPE: lab coat, safety glasses, suitable chemically resistant gloves. Handle powders/solids in a fume hood to avoid inhalation or dust exposure.
• Avoid ingestion, inhalation, and skin/eye contact. Wash thoroughly after handling. Prevent environmental release.
• Storage incompatibilities: Keep away from strong oxidizers and strong acids/bases unless compatibility is known. Avoid prolonged exposure to light, heat, and moisture.
• First aid (overview; defer to SDS): In case of skin contact, wash with soap and water. For eye exposure, rinse cautiously with water for several minutes and seek medical attention. If inhaled, move to fresh air; if ingested, rinse mouth and seek medical guidance.

Special risks:

• No specific reactivity or peroxide-forming hazards are known without structure; treat as a general organic research chemical. Always consult the item-specific SDS for authoritative safety measures.

Solvent Selection

Item-specific solubility is not provided; verify experimentally.

General guidance for kinase inhibitor-like small molecules (literature/generic):

• Primary stock solvent: DMSO is typically preferred for hydrophobic discovery compounds due to broad solvating power and compatibility with biochemical and cell assays.
• Co-solvents for working solutions: Aqueous buffers (e.g., HEPES, PBS) with ≤0.1–0.5% v/v DMSO are common to minimize solvent effects. Add the DMSO stock last with vigorous mixing to avoid precipitation.
• Alternative organic vehicles: DMF can be used for initial dissolution but is less favored in biological contexts. Ethanol can be acceptable up to ~0.1–0.5% v/v in some systems; test for tolerance.
• Solubility screening tips: Perform a small-scale kinetic solubility test across buffer pH values (e.g., pH 6.5–8.0) and ionic strengths. Use sonication and warming (≤37 °C) as needed. Consider salt formation if the compound contains basic or acidic centers (item-specific confirmation required).

Simple comparison (generic):

• DMSO: highest solvency; broad assay compatibility; may affect channel activity at >0.5%.
• DMF: good solvency; more cytotoxic; use sparingly.
• Ethanol: moderate solvency; volatility can change concentrations; protein precipitation risk at higher %.

Storage and Reconstitution

Item-specific storage and shipping:

• Storage Conditions: Store at 2–8 °C.
• Shipped In: Wet ice.

General guidance (supplemental; not item-specific unless confirmed by CoA):

• Keep container tightly closed in a dry, cool place. Protect from light and moisture until first use. After opening, consider aliquoting the solid to minimize repeated freeze–thaw and air exposure.
• Reconstitution: If suitable, prepare concentrated DMSO stock (e.g., 10–50 mM) under dry conditions. Filter sterilize if needed for biological assays (PTFE, 0.22 µm). Record exact concentration gravimetrically or by UV only if extinction coefficient is known (not provided here).
• Working solutions: Dilute the DMSO stock into pre-warmed buffer or media with vigorous mixing to avoid precipitation. Use freshly prepared working solutions; discard if turbidity or precipitation occurs.
• Stability: Not specified for this item; refer to CoA/Spec Sheet. If stability is uncertain, store DMSO stocks at −20 to −80 °C, protected from light, and avoid repeated freeze–thaw by aliquoting.

Research use note: For research use only.

Structure and Identity

• SKU: C1426564
• Product Name: CLK1-IN-2
• CAS: 3029431-68-0
• 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.

Item-specific structural description:

• Structural class and functional groups: Not specified for this item; refer to CoA/Spec Sheet.
• Stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.

General notes (literature):

• The name “CLK1-IN-2” suggests a small-molecule research probe nominally directed at CDC-like kinase 1 (CLK1), a serine/threonine kinase involved in pre-mRNA splicing regulation. Without the provided structure, ring systems, heteroatoms, HBD/HBA counts, and other features cannot be detailed for this specific catalog item.

Synthetic Utility

This catalog item is a target-focused small-molecule probe and is not typically employed as a reagent or building block in synthetic organic chemistry.

General considerations (generic):

• Without structural information, strategic functionalization, cross-coupling handles, or protecting group strategies cannot be proposed for this item.
• If one intends to derivatize a bioactive scaffold for SAR, standard medicinal chemistry routes (e.g., amide coupling, heteroaryl cross-couplings, N-alkylation, sulfonylation) may apply depending on the actual functional groups present—none are specified here.
• For bioconjugation or probe development (e.g., photoaffinity or clickable tags), feasibility depends on the presence of modifiable positions that maintain activity; this requires the known structure and SAR context.

Conclusion: Treat CLK1-IN-2 primarily as a research probe for biological investigation rather than a synthetic intermediate.

Target Specificity

Item-specific potency and selectivity data: Not specified for this item; refer to CoA/Spec Sheet.

Nominal target (by product name only; not a verified specification):

• CDC-like kinase 1 (CLK1). Do not assume exclusivity or selectivity among CLK isoforms or other kinases without data.

General considerations for kinase probes (literature/generic):

• Many ATP-competitive kinase inhibitors show family-wide cross-reactivity at micromolar levels. Profiling against a panel of kinases and determining Kd/IC50 across ATP concentrations is recommended.
• Confirm on-target effects using multiple orthogonal methods: biochemical inhibition, target engagement (e.g., CETSA/NanoBRET), and phenotypic rescue (e.g., overexpression of resistant mutants when feasible).
• Consider off-target liability testing: hERG, CYP inhibition, and mitochondrial assays, particularly for higher concentrations in cells.

Caution: Without the structure and CoA data, no claims about specificity, binding mode (type I/II/III), or selectivity window can be made for this item.