Senexin A - ≥98%(HPLC) , CAS No.1780390-76-2

CAS: 1780390-76-2 Cat. No.: S288272 Formula: C₁₇H₁₄N₄.HCl Molecular Weight: 310.78 PubChem CID: 90488980

GRADE & PURITY ≥98%(HPLC)

Synonyms

4-[(2-Phenylethyl)amino]-6-quinazolinecarbonitrile hydrochloride

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

4-[(2-Phenylethyl)amino]-6-quinazolinecarbonitrile hydrochloride

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Cyclin-dependent kinase 8 (cdk8) inhibitor (IC50= 280 nM). Also binds to cdk19 in an ATP-competitive manner. Inhibits p21-induced transcription. Reversesdoxorubicin-induced tumor-promoting paracrine activitiesin vivo.

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%(HPLC)

Names and Identifiers

Canonical Smiles

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)C#N.Cl

IUPAC Name

4-(2-phenylethylamino)quinazoline-6-carbonitrile;hydrochloride

InChIKey

POENYXHGUHRXFR-UHFFFAOYSA-N

INCHI

1S/C17H14N4.ClH/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13;/h1-7,10,12H,8-9H2,(H,19,20,21);1H

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)C#N.Cl

PubChem CID

90488980

Molecular Weight

310.78

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 31.08, Max Conc. mM: 100

Application Protocols

No tested or validated application protocols are provided for this specific product in the listing.

General example workflow (for illustrative, non-item-specific guidance only)

• Prepare a 10 mM stock in anhydrous DMSO. Vortex until fully dissolved. If needed, sonicate briefly.
• For a cell-based assay: Dilute stock into pre-warmed culture medium to achieve the desired dose range, maintaining constant final DMSO (e.g., 0.1% v/v). Include vehicle-only controls.
• Incubate cells under standard culture conditions for a defined period (e.g., 4–24 h), then quantify endpoints (e.g., reporter activity, RT-qPCR, phospho-protein levels).
• For an in vitro enzyme assay: Pre-incubate enzyme with inhibitor in assay buffer for 15–30 min at room temperature, then initiate reaction with substrate and monitor activity kinetically.

Important

• These are generic examples. Optimize all parameters (concentration, time, temperature, buffer composition) for your specific system. Consult the literature and the item’s CoA/SDS for any additional constraints.
• For research use only, as stated.

Biological Roles

Item-specific biological annotations are not provided in this listing.

General research context (literature, not item-specific claims)

• Small-molecule transcriptional kinase probes are used to study regulation of gene expression via modulation of kinase activity associated with mediator complexes and other transcriptional machinery.
• Such probes can help delineate cause–effect relationships between kinase signaling and immediate-early gene induction, enhancer activation, and super-enhancer dynamics.
• Cellular studies typically evaluate effects on phosphorylation states, transcriptional output (e.g., RT-qPCR/RNA-seq), and phenotypic endpoints under controlled, non-clinical conditions.

Best practices

• Validate target engagement using orthogonal assays (e.g., CETSA, NanoBRET target engagement, phospho-site monitoring) to distinguish primary target effects from downstream consequences.
• Employ appropriate controls, including inactive structural analogs where possible, to confirm specificity of observed outcomes.
• Report and control for vehicle concentration, exposure time, and cell line–specific sensitivities to ensure reproducibility.

Note: No therapeutic or clinical claims are made. This product is for research use only, as specified.

Buffer Applications

This product is not a buffering agent. However, buffer choice is critical for preparing working solutions and conducting biochemical or cellular assays.

General buffer guidance (best practice; not item-specific specs)

• Common assay buffers: PBS, HEPES-buffered saline, or Tris-based buffers at physiological ionic strength (e.g., 1× PBS; 10–25 mM HEPES, 150 mM NaCl, pH 7.2–7.5).
• Vehicle dilution: Prepare a concentrated DMSO stock and dilute into buffer or media with rapid mixing to avoid precipitation. Aim for minimal final DMSO (e.g., 0.1–1% v/v) unless your system tolerates more.
• Protein carriers: If nonspecific binding or adsorption is suspected, inclusion of low levels of carrier protein (e.g., 0.1% BSA) may improve apparent solubility and stability; verify compatibility with your assay.
• Filtration: If particulate forms upon dilution, passage through a low-protein-binding 0.22 μm membrane can clarify solutions; check for analyte loss by adsorption.
• Stability: Prepare fresh working solutions before use; prolonged standing in aqueous buffers may lead to degradation or precipitation for many hydrophobic small molecules.

Green Alternatives

As a bioactive small molecule, Senexin A is not a process solvent. Green chemistry considerations primarily concern solvent/vehicle selection and waste minimization during handling and assays.

Greener handling strategies (general best practice)

• Minimize DMSO volume by preparing higher-concentration stocks and using micro-aliquots to reduce plastic and solvent waste.
• Where compatible, employ aqueous buffers with the lowest feasible DMSO fraction (e.g., ≤0.1–0.5%) to lessen environmental load and improve user safety.
• Adopt microscale assay formats (96/384/1536 wells) to reduce overall solvent consumption and waste generation.
• Use closed containers and cold storage to extend shelf life and reduce discard frequency.

Vehicle comparison (general)

• DMSO: High solvency; relatively benign compared to chlorinated solvents, but can facilitate dermal absorption—use caution.
• Ethanol: Renewable origin possible; higher volatility increases VOC emissions; biological tolerance varies.
• Aqueous-only delivery: Greenest option when feasible, but many hydrophobic compounds require a small organic cosolvent.

Procurement/packaging

• Prefer packaging sizes that match experimental throughput to avoid repeated freeze–thaw and disposal of expired material.

Note: Synthetic route optimization and solvent substitution for large-scale manufacturing are outside the typical scope for lab-scale use of research tool compounds.

Pharmaceutical Uses

No pharmaceutical or clinical use is specified or implied for this product. For research use only.

General information for context (non-clinical)

• Small-molecule tool compounds may be used as analytical reference standards or positive controls during preclinical discovery assays and method development (e.g., LC–MS bioanalytical method qualification). Such use requires rigorous verification of identity, purity, and stability.
• Excipient roles: Not applicable—this product is not an excipient and is not formulated for human or veterinary administration.
• Pharmacopeial status: Not specified for this item; refer to CoA/Spec Sheet. No compendial monograph is indicated in the product data.

If this compound is intended as a system suitability or reference standard in your laboratory, establish and document acceptance criteria for purity, potency (if applicable to your assay), retention time windows, and storage stability according to your internal QA procedures.

Physical Properties

Item-specific physical constants are not provided for this SKU.

• 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 applicable/Not typically determined for complex organic research standards; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable (solid) or not specified; refer to CoA/Spec Sheet.
• LogP, pKa: Not specified for this item; refer to CoA/Spec Sheet.
• UV/Vis characteristics: Not specified for this item; refer to CoA/Spec Sheet.

General handling and solubility guidance (literature/general best practice, not item-specific specifications)

• Many small-molecule research inhibitors are prepared as concentrated stocks in anhydrous DMSO (e.g., 10–50 mM), then diluted into aqueous buffers immediately prior to use to minimize precipitation.
• Solubility can depend strongly on salt form, polymorph, and hydration state; verify experimentally on a small scale and consult the CoA for any recommended solvents.
• For aqueous work, co-solvent fractions ≤1% DMSO (v/v) are commonly targeted in cell-based assays to limit vehicle effects, but optimal conditions vary by system.
• Always filter-clarify solutions if particulate is observed, using chemically compatible membranes (e.g., PTFE for organic-rich stocks).

Quality & Grades

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

How to interpret quality for small-molecule research reagents (general guidance)

• Identity confirmation typically includes high-resolution MS and 1H/13C NMR; some suppliers add IR and elemental analysis. Chromatographic purity is commonly reported by HPLC/UPLC with UV or PDA detection, and occasionally by GC for volatile impurities.
• For bioactive tool compounds, residual solvent levels (ICH Q3C), water content (Karl Fischer), and counterion/stoichiometry (if a salt) may be reported. Absent explicit numbers here, rely on the CoA for the batch you receive.
• Stabilizers/additives: Not specified for this item; refer to CoA/Spec Sheet. If none are listed, assume neat solid unless otherwise indicated.
• UV cutoff/LC suitability: Not specified for this item; refer to CoA/Spec Sheet. If planning quantitative UV detection, determine λmax and extinction coefficient experimentally under your mobile phase conditions.

Practical recommendations

• Request and retain the batch CoA and, if available, a copy of the reference spectrum/chromatogram. Verify purity and identity upon receipt if your workflow is sensitive to trace impurities (e.g., in cell-based phenotypic assays).

Reaction & Applications

This item is primarily used as a small-molecule research tool rather than as a synthetic reagent. No manufacturer application notes are provided in this listing.

Research applications (literature/general use, not item-specific claims)

• Chemical biology: Utilized as a probe compound in studies of kinase-regulated transcriptional programs and signal transduction pathways. Typical experiments include in vitro enzyme assays, cellular reporter assays, and pathway mapping via phospho-proteomics.
• Reference material: Employed as a positive control for assay development and validation in high-content or high-throughput screening workflows targeting transcriptional kinase nodes.
• Mechanistic studies: Time-course and dose–response experiments to dissect immediate-early gene regulation and mediator-complex dependent signaling.

Practical considerations

• Titration: Establish dose–response curves over several orders of magnitude (e.g., 0.001–30 μM in cells) to map active ranges; optimize specifically for your system.
• Controls: Include vehicle controls and, where available, orthogonal tool compounds to confirm on-target phenotypes.
• Aggregation/artifacts: Use detergent-sensitive counterscreens and light scattering where applicable to rule out colloidal aggregation or assay interference.

Note: For any biological study, confirm identity/purity and maintain rigorous documentation of stock concentration, vehicle percentage, and exposure time.

Reaction Conditions

Conventional organic reaction conditions are not applicable; this product is not supplied for use as a synthetic reagent.

Assay-oriented conditions (general, literature-style guidance; not item-specific specs)

• Stock solutions: Prepare in anhydrous DMSO at 10–50 mM. Store as small, single-use aliquots to limit freeze–thaw cycles.
• In vitro biochemical assays: Typical incubations at 25–37°C for 15–60 minutes prior to initiating enzyme reactions can help establish steady-state inhibition. Optimize pre-incubation empirically.
• Cell-based assays: Dose over a log-scale range and monitor phenotypic or transcriptional endpoints at multiple time points (e.g., 2–24 h) to capture primary versus secondary responses. Maintain constant vehicle concentration across doses.
• Light/oxidation: Protect from strong light and air exposure during prolonged incubations if degradation is suspected; verify by LC–MS.

Outcome expectations

• Because potency and selectivity are system-dependent, establish your own baseline responsiveness and dynamic range using appropriate positive and negative controls.

Note: For synthetic reaction conditions involving this scaffold, consult primary literature; no item-specific reactivity data are provided here.

Safety & Handling

Safety designation for this specific item is not provided in the listing.

• GHS/CLP 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 (not a substitute for SDS)

• Use in a certified chemical fume hood. Avoid inhalation, ingestion, and skin/eye contact. Wear appropriate PPE: lab coat, safety glasses, and chemically resistant gloves (e.g., nitrile); consider double-gloving for DMSO stocks that can enhance dermal transport.
• Prevent aerosol and dust generation; handle solids gently. For weighed solids, use antistatic measures and weigh boats with covers.
• Incompatibilities: Strong oxidizers, strong acids/bases, and reactive metals may be incompatible with organic inhibitors; consult SDS for definitive listings.
• First aid (general): 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, seek medical advice. Always follow institutional SOPs.
• Spill/accidental release: Avoid raising dust; absorb solutions with inert material and dispose as hazardous chemical waste according to local regulations.
• Waste: Collect unused solutions and contaminated disposables as organic hazardous waste.
• Always consult the item-specific SDS for authoritative hazard, toxicological, and disposal information.

Solvent Selection

This product is a small-molecule reagent, not a solvent. Solvent selection here refers to vehicle choice for dissolution and experimental use.

General guidance (literature/general best practice)

• Stock preparation: DMSO is commonly used for hydrophobic bioactive molecules. Prepare concentrated stocks (e.g., 10–50 mM) in anhydrous DMSO, aliquot, and store cold to reduce freeze–thaw cycles.
• Aqueous dilution: Immediately before use, dilute the DMSO stock into buffer or media with vigorous mixing to avoid local supersaturation. Keep final DMSO typically ≤0.1–1% v/v in cellular assays; verify vehicle tolerance for your system.
• Alternative cosolvents: Ethanol and DMF can be used in some workflows, but may have greater biological impact; evaluate carefully. For biophysical assays, inclusion of non-ionic surfactants (e.g., low % Tween-20) can mitigate aggregation artifacts where compatible.
• Buffer compatibility: Use standard biological buffers (PBS, HEPES, Tris) and maintain consistent ionic strength and pH; avoid buffers that cause precipitation with your dilution scheme.

Quick comparison (general)

• DMSO: Highest solvating power for heteroaromatic inhibitors; biologically tolerated at low %.
• Ethanol: Volatile and convenient; lower solubility for many scaffolds; evaporative concentration can change dose.
• Aqueous only: Often insufficient for initial dissolution; risk of precipitation and variable exposure.

Storage & Reconstitution

Storage conditions (product data)

• Recommended storage: Store at 2–8°C.
• Shipping: Shipped on wet ice.

Reconstitution and handling (general best practice; not item-specific specs)

• Upon receipt, allow the container to equilibrate to room temperature before opening to minimize moisture condensation.
• For solids: Prepare concentrated stock solutions in anhydrous DMSO (e.g., 10–50 mM) under dry, inert conditions if feasible. Mix thoroughly (vortex/sonication). If particulate remains, warm gently and mix; avoid prolonged heating.
• Aliquot stocks into small, single-use volumes in solvent-compatible vials or microtubes to avoid repeated freeze–thaw.
• Short-term storage of DMSO stocks: 2–8°C or −20°C depending on your QC data; protect from light. Long-term storage: many labs prefer −20°C to −80°C. Validate stability by periodic LC–MS/HPLC checks.
• Aqueous working solutions should be prepared fresh immediately before use and discarded after the experiment to avoid degradation/precipitation.
• Label all aliquots with compound name, concentration, solvent, date, and preparer initials for traceability.

Disposal

• Dispose of unused solutions and materials according to local regulations for organic hazardous waste.

Note: Where any conflict exists, follow the batch-specific CoA and SDS.

Structure & Identity

Brief overview: Senexin A is a small-molecule research reagent. Item-specific identifiers are very limited in this listing; consult CoA/Spec Sheet for definitive structural details.

• CAS: 1780390-76-2 (product data)
• PubChem CID: 90488980 (product data)
• InChIKey: 282654 (product data; note: format appears atypical for an InChIKey; verify against CoA/SDS)
• 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 description

• Functional groups and ring systems: Not specified for this item; refer to CoA/Spec Sheet.
• Stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.

General literature note (non-item-specific)

• Senexin A is reported in the literature as a small-molecule tool compound used to study kinase-mediated transcriptional regulation. Exact atom connectivity, heteroaromatic motifs, and stereochemical features should be confirmed from primary references or the product’s CoA before method development.

Synthetic Utility

This product is a finished small-molecule research tool rather than a synthetic building block. It is not typically used as a reagent or intermediate in routine organic synthesis.

General notes (contextual)

• Structural complexity and potential sensitivity (e.g., to strong acids/bases or prolonged heating) can limit its use as a substrate in derivatization chemistry without detailed stability data.
• If analog preparation or SAR exploration is of interest, consult primary literature for robust routes and protecting-group strategies; do not assume compatibility with standard coupling or metal-catalyzed conditions without preliminary scouting.

Practical recommendations

• Avoid exposing the compound to harsh conditions unless literature precedents support stability.
• For any attempted transformations (e.g., prodrug formation, tagging for probe development), use analytical-scale reactions first and monitor by LC–MS to confirm integrity.

In summary, prioritize this item’s role as a biochemical probe/control rather than as a general-purpose synthetic precursor.

Target Specificity

Target information for this specific catalog item is not provided in the product data.

• Target/antigen, epitope, species reactivity, clone/isotype: Not applicable; this is a small-molecule reagent, not an antibody.
• Mechanistic or target annotations: Not specified for this item; refer to CoA/Spec Sheet and primary literature.

Guidance

• If using this compound as a probe for a particular target, confirm target engagement with orthogonal assays and consult peer-reviewed sources for profiling data relevant to your experimental system.

Frequently Asked Questions

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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

The CAS Number is 1780390-76-2, the molecular formula is C??H??N?.HCl, and the molecular weight is 310.78 g/mol. InChIKey POENYXHGUHRXFR-UHFFFAOYSA-N.

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.