GSK923295 - ≥98% , CAS No.1088965-37-0

CAS: 1088965-37-0 Cat. No.: G127656 Summenformel: C₃₂H₃₈ClN₅O₄ Molekulargewicht: 592.14

GRADE & PURITY ≥98%

Synonyms

NCGC00346943-01 | 3-Chloro-N-[(1S)-2-[[2-(dimethylamino)acetyl]amino]-1-[[4-[8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]methyl]ethyl]-4-(1-methylethoxy)-benzamide | 3-chloro-N-[(2S)-1-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-[(1S)-1-hydroxye

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

GSK923295 is a first-in-class, specific allosteric inhibitor of CENP-E kinesin motor ATPase with Ki of 3.2 nM, and less potent to mutant I182 and T183.
A specific allosteric inhibitor of CENP-E kinesin motor ATPase

Specifications

Synonyme

NCGC00346943-01 | 3-Chloro-N-[(1S)-2-[[2-(dimethylamino)acetyl]amino]-1-[[4-[8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]methyl]ethyl]-4-(1-methylethoxy)-benzamide | 3-chloro-N-[(2S)-1-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-[(1S)-1-hydroxye

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Potent and selective centromere associated protein E (CENP-E) allosteric inhibitor (IC50= 22 nM); does not compete with ATP. Exhibits selectivity over a panel of other kinesins (<25% inhibition at 50 μM). Inhibits tumor cell growthin vitro. Induces mitoti

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488201394

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201394

Kanonisches Lächeln

CC(C)OC1=C(C=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)C3=CN4C=CC=C(C4=N3)C(C)O)CNC(=O)CN(C)C)Cl

IUPAC Name

3-chloro-N-[(2S)-1-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide

InChIKey

WHMXDBPHBVLYRC-OFVILXPXSA-N

INCHI

1S/C32H38ClN5O4/c1-20(2)42-29-13-12-24(16-27(29)33)32(41)35-25(17-34-30(40)19-37(4)5)15-22-8-10-23(11-9-22)28-18-38-14-6-7-26(21(3)39)31(38)36-28/h6-14,16,18,20-21,25,39H,15,17,19H2,1-5H3,(H,34,40)(H,35,41)/t21-,25-/m0/s1

Isomere SMILES

C[C@@H](C1=CC=CN2C1=NC(=C2)C3=CC=C(C=C3)C[C@@H](CNC(=O)CN(C)C)NC(=O)C4=CC(=C(C=C4)OC(C)C)Cl)O

Molekulargewicht

592.14

Reaxy-Rn

12457536

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12457536&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Phenylimidazoles 3-halobenzoic acids and derivatives Amphetamines and derivatives Benzamides Imidazo[1,2-a]pyridines Imidazopyridines Phenol ethers Phenoxy compounds Benzoyl derivatives Chlorobenzenes Alkyl aryl ethers Pyridines and derivatives Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Trialkylamines Secondary alcohols Secondary carboxylic acid amides Azacyclic compounds Organochlorides Carbonyl compounds Organic oxides Aromatic alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - 5-phenylimidazole - 4-phenylimidazole - Amphetamine or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Imidazopyridine - Imidazo[1,2-a]pyridine - Benzoyl - Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Alkyl aryl ether - N-substituted imidazole - Monocyclic benzene moiety - Aryl halide - Pyridine - Benzenoid - Aryl chloride - Heteroaromatic compound - Imidazole - Azole - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Ether - Azacycle - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Alcohol - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Aromatic alcohol - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (menschlich)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

U2OS (164939 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

Discover Target: BRD4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

Discover Target: TRIM24

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BRPF1 Tchem Peregrin (2217 Activities)

Discover Target: BRPF1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HEK-293T (167025 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

Discover Target: Fgfr3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 59.21, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 11.84, Max Conc. mM: 20 with gentle warming
• Molekulargewicht: 592.100 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 591.261 Da
• Monoisotopic Mass: 591.261 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 870.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Application Protocols

This section typically documents validated protocols for antibodies or kits. No item-specific assay protocols are provided for this small-molecule product.

• General guidance (non-item-specific) for small-molecule tool compounds:
  • Prepare a concentrated DMSO stock (e.g., 10 mM), sterile-filter if required by your workflow, aliquot, and store at −20°C protected from light.
  • Thaw on ice, vortex to homogenize, and dilute into pre-warmed assay media/buffer with constant vehicle across controls. Confirm absence of precipitation visually or by light scattering.
  • For dose–response, use serial dilutions in DMSO to maintain uniform vehicle concentration upon back-dilution.

For authoritative, item-specific instructions, refer to your laboratory’s SOPs and the primary literature.

Biological Roles

• Research use note: For research use only. No medical or clinical use is intended or implied.
• Context (literature, general):
  • GSK923295 is widely cited in chemical biology as a selective, ATP-competitive inhibitor used to interrogate mitotic kinesin function, especially the centromere-associated motor protein CENP-E (kinesin-7 family). It serves as a chemical probe to study chromosome congression, spindle checkpoint signaling, and mitotic progression in cell-based systems.
• Typical experimental applications (general; not item-specific):
  • Cellular phenotyping: synchronization and analysis of mitotic defects, live-cell imaging of chromosome alignment, and evaluation of spindle dynamics upon motor inhibition.
  • Biochemical assays: ATPase activity inhibition assays, microtubule gliding/motility assays, and target engagement profiling in kinesin panels.
  • Chemical genetics: combining with siRNA/CRISPR knockdowns of mitotic regulators to map pathway dependencies.
• Practical considerations:
  • Use vehicle-matched controls, time-resolved dosing, and concentration–response curves to decouple cytostatic from cytotoxic effects in proliferation assays.
  • Confirm target pathway modulation using orthogonal readouts (e.g., phospho-markers of spindle checkpoint activation, microscopy for chromosome positioning).
  • Validate compound identity/purity prior to long-term studies; minor impurities can yield misleading phenotypes in sensitive cell systems.
• Data integrity:
  • Record lot numbers, stock concentrations, vehicle percentages, and plate layouts in ELNs/LIMS for reproducibility. Where feasible, benchmark against a second, mechanistically related probe to strengthen mechanistic conclusions.

Buffer Applications

This item is not a buffer component and is not used to establish or maintain pH. In biological experiments it is typically introduced as a DMSO-based stock solution into pre-formulated assay buffers or cell culture media.

• Practical notes:
  • Prepare a concentrated DMSO stock and dilute into the working buffer/media with thorough mixing to avoid local supersaturation and precipitation.
  • Maintain constant vehicle percentage across control and treated samples to prevent buffer-dependent artifacts.
  • If precipitation is observed, consider including a small amount of compatible co-solvent or surfactant (e.g., 0.01–0.05% non-ionic detergent), and verify no interference with the assay readout.

Green Alternatives

Because this product is a specific, structure-defined research tool compound, there is no “green alternative” that preserves its target engagement profile. However, greener handling practices can be adopted during its use in screening and assay workflows:

• Prefer lower-toxicity solvents for plate preparation when compatible with solubility (e.g., aqueous buffer with minimal DMSO; avoid chlorinated solvents in routine handling).
• Reduce solvent waste by using concentrated DMSO stocks and accurate low-volume dispensing to minimize over-preparation.
• Employ closed, inert-atmosphere microtubes or crimped vials to extend solution life and reduce repeat preparations.
• Consolidate shipments and choose ambient-rate courier segments when feasible; this item ships with cold packs as specified, but minimizing expedited shipments reduces footprint.
• For cleaning glassware and liquid-handling lines, replace acetone/hexane rinses with ethanol/isopropanol where effective.

Trade-offs: Lower DMSO content or alternative co-solvents can decrease solubility and risk precipitation, potentially impacting assay reproducibility. Validate any greener protocol with small-scale pilot tests and analytical verification (e.g., LC/UV of the working solution).

Pharmaceutical Uses

• Role in pharmaceutical research (general; no therapeutic claims):
  • Employed as a reference tool compound in discovery biology to interrogate mitotic motor function and to benchmark phenotypic outcomes associated with CENP-E inhibition. Useful for target validation, pathway mapping, and as a positive control in assay development for kinesin-related screens.
• Formulation and handling in preclinical labs (general best practices):
  • Typically formulated as DMSO stock solutions for in vitro use. For in vivo method-development models (if pursued in academic settings), vehicle systems may include aqueous co-solvent mixtures (e.g., PEG-400/saline/EtOH); any such use requires independent formulation development and institutional approvals. This listing does not provide or imply suitability for in vivo use.
• Pharmacopeial status:
  • Not a pharmacopeial excipient or API. No compendial monograph is implied.
• Quality documentation:
  • For regulated research, request full analytical package (CoA, stability data, impurity profile). Establish internal specifications for identity and purity consistent with your laboratory’s QA policy prior to use in milestone experiments.

Physical Properties

• Item-specific specifications (measured for this lot):
  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • Purity/grade: Not specified for this item; refer to CoA/Spec Sheet.
  • Water/peroxide/metals/UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
• Basic physicochemical profile (general expectations for small-molecule screening probes; not item-specific):
  • State: Typically an organic solid for library compounds of this class; confirm actual form on CoA.
  • Solubility: Frequently supplied for dissolution in anhydrous DMSO to prepare concentrated stocks (e.g., 10–50 mM), then diluted into assay buffers with final DMSO ≤0.1–1% v/v to maintain solubility (literature/good practice). Actual solubility limit is not specified for this item; verify empirically.
  • pKa/logP: Not specified for this item; refer to literature databases if needed for modeling; confirm experimentally for critical applications.
  • Melting/boiling point, density, refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• Practical notes (general):
  • For sparingly water-soluble tool compounds, co-solvents (DMSO, DMF) and surfactants (e.g., 0.01–0.05% Tween-20) can mitigate precipitation during aqueous dilution; pre-warm and vortex to assist dissolution.
  • Avoid prolonged exposure of DMSO solutions to moisture and light; some chemotypes can slowly degrade via hydrolysis or oxidation in wet solvents (general guidance; not item-specific). Always confirm solution stability with a quick LC/UV check when preparing master plates.

Quality and Grades

• Item-specific quality details
  • Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
  • Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet.
• How to interpret common grades (general guidance):
  • Screening library or “bioactive small molecule” grade typically emphasizes chemical identity and purity suitable for biochemical/cellular assays, often verified by HPLC/UPLC purity and NMR/MS identity. Low residual solvents and controlled counter-ions/salt forms improve reproducibility in phenotypic/target-based assays.
  • “Analytical” or “≥98%” purity grades are commonly used for mechanism studies and structure–activity work; HPLC chromatograms near the assay detection wavelength (e.g., 254 nm) are preferred to ensure low UV-absorbing impurities.
• What to look for on the CoA/Spec Sheet (practical checklist):
  • Confirm exact structural form (free base vs. salt/hydrate/solvate), purity method (area% HPLC/UPLC), and identity confirmation (1H NMR, MS). Note any polymorph information, as it can influence dissolution.
  • Review residual solvent profile, water content (Karl Fischer), and assay-related quality notes (e.g., endotoxin not usually applicable for small molecules, but particle size may matter for suspension assays).
  • If your application requires very low fluorescence background or tight mass balance, request chromatograms and spectral data at the intended analytical wavelength.

Reaction and Applications

This product is a bioactive small molecule tool compound rather than a synthetic reagent or catalyst. As such, it is not typically employed to drive organic reactions or transformations (e.g., cross-couplings, reductions, condensations). If you require information on using this item in chemical biology experiments, see:

• Biological Roles: guidance on pathway/target context and typical research use.
• Storage & Reconstitution: advice for solution preparation and handling.
• Solvent Selection: recommended vehicles for biochemical and cellular assays.

For synthetic method development, select reagents specifically designed for the targeted transformation (e.g., coupling reagents, bases, catalysts). Avoid exposing this compound to harsh conditions that could alter its structure before biological testing (strong acids/bases, high temperatures, or oxidative environments), unless you are deliberately conducting stability or derivatization studies.

Reaction Conditions

Not typically applicable. GSK923295 is supplied as a finished research tool compound rather than a reagent for carrying out chemical reactions.

• If conducting stability or compatibility tests (general guidance):
  • Solution stability checks can be performed by incubating DMSO stocks at ambient temperature and 37°C, sampling over time for LC–MS or UPLC purity. Evaluate stability in assay buffers across relevant pH (e.g., pH 6–8) at working concentrations, protecting from light as needed.
  • Avoid strong acids/bases, oxidants, or prolonged heating unless you are intentionally stress-testing to define handling limits.
  • For plate-based assays, limit residence time of diluted working solutions to the shortest practical window before readout to minimize hydrolysis or adsorption losses.

Safety and Handling

• Regulatory and hazard data (item-specific):
  • 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 for small organic research compounds):
  • Use in a chemical fume hood. Avoid inhalation, ingestion, and skin/eye contact. Wear appropriate PPE: lab coat, safety glasses, and disposable nitrile gloves; upgrade to splash goggles/face shield if aerosolization or large-scale handling is possible.
  • Prevent dust formation; handle solids gently. For DMSO solutions, remember DMSO facilitates dermal transport—avoid skin contact.
  • Storage incompatibilities: Keep away from strong oxidizers and acids/bases that may promote decomposition (general). Avoid prolonged light exposure for light-sensitive scaffolds (unknown for this item; store as recommended below).
  • Spill/accident: For small spills, absorb with inert material (e.g., vermiculite), collect in a sealable waste container. Wash area with mild detergent. For eye/skin contact, rinse with water for ≥15 minutes and seek medical attention as per SDS.
  • Waste disposal: Dispose in accordance with institutional and local regulations for organic hazardous waste.
• Authoritative source: Always defer to the product’s official SDS for definitive hazard, toxicological, and first-aid information prior to use.

Solvent Selection

• Practical solvent choices (general for probe compounds of this class):
  • Primary solvent: Anhydrous DMSO is the standard for preparing concentrated stock solutions for high-throughput screening (HTS) and cell-based assays due to broad solubilizing power and chemical compatibility.
  • Secondary options: DMF, NMP, or ethanol can sometimes dissolve recalcitrant scaffolds; aqueous dilution should be gradual with vigorous mixing to avoid precipitation. Consider adding solubilizing aids (e.g., 5–20% PEG-400, 0.01–0.05% Tween-20) for challenging cases.
• Polarity/miscibility profile (general):
  • DMSO stocks are fully miscible with water and most assay buffers. Maintain final DMSO below assay tolerance (commonly ≤0.1–1% v/v for cells; enzyme assays may tolerate slightly higher), verifying that vehicle has no confounding effects.
• When to choose alternatives:
  • If DMSO sensitivity is observed, co-solvent systems (e.g., 10–20% ethanol or propylene glycol in buffer) or cyclodextrin inclusion complexes can improve delivery while reducing DMSO.
  • For in vitro biochemical assays requiring low viscosity, ethanol or MeOH pre-dissolution followed by rapid dilution may be advantageous, provided the compound remains in solution.
• Practical tips:
  • Prepare small, single-use aliquots to minimize freeze–thaw. Pre-warm viscous solvents (DMSO, PEG-400) to 25–37°C to accelerate dissolution. Filter 0.22 µm if particulate persists after dissolution (verify no adsorption losses). Document vehicle composition alongside activity data for reproducibility.

Storage and Reconstitution

• Storage conditions (item-specific):
  • Store at −20°C (as provided in Product Data). Shipments are made in an ice chest with ice pads to maintain a cold chain.
• Solid handling (general best practices; confirm actual physical form on CoA):
  • Upon receipt, allow container to equilibrate to room temperature in a desiccator before opening to avoid moisture condensation. Recap promptly with desiccant inside secondary containment.
• Reconstitution and stock preparation (general for small-molecule probes):
  • Dissolve in anhydrous DMSO to prepare a concentrated master stock (commonly 10–50 mM). If sterility is required, 0.22 µm filter the solution using solvent-compatible membranes.
  • Aliquot into low-bind, amber microtubes to minimize adsorption and light exposure. Flush headspace with inert gas if long-term storage is anticipated.
  • Store aliquots at −20°C. Avoid repeated freeze–thaw cycles; thaw on ice just before use. Typical working lifetime of DMSO stocks at −20°C is weeks to months, but confirm by periodic LC/UV or LC–MS (not item-specific).
• Working solution stability (general):
  • Prepare fresh dilutions in assay buffer/media immediately before use. Maintain consistent vehicle content across samples. If precipitation or adsorption to plastics is suspected, verify concentration by UV or LC methods and consider using low-bind labware.
• Documentation:
  • Record lot number, preparation date, solvent, and concentration on each aliquot and in your ELN/LIMS for traceability.

Structure and Identity

• Item-specific identifiers
  • SKU: G127656
  • Product name: GSK923295
  • CAS: 1088965-37-0
  • CID: 46898058
  • InChIKey: 398562 (as provided; format appears truncated — consult CoA/SDS for the full key)
• Molecular descriptors
  • 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.
• Structural features (general, literature):
  • GSK923295 is a small-molecule research tool compound originally developed as an ATP-competitive kinesin motor inhibitor (CENP-E) in mitotic machinery studies (literature). It is typically described as a drug-like heteroaromatic/aryl-containing scaffold with multiple hydrogen-bonding functionalities consistent with kinase/kinesin-binding chemotypes (literature, general description; exact atom connectivity not specified here).
• 2D structure (verbal description, general):
  • The compound has a multi-ring framework with polar functional groups embedded within an overall moderately lipophilic architecture, enabling cell-permeant behavior typical of screening-library actives (literature, general). Exact ring count, substitution pattern, and stereochemistry are not specified for this item; refer to CoA/Spec Sheet.
• Synonymy and identity notes:
  • Often cited as a selective CENP-E motor inhibitor in chemical biology literature; ensure identity alignment via CAS/CID before cross-referencing external datasets. Always verify the precise structure using the product’s CoA or an authenticated spectral package prior to structure-activity or docking workflows.

Synthetic Utility

This compound is a target-like, fully elaborated small molecule intended for use as a biological probe. It is not generally used as a reagent, catalyst, ligand, or building block in synthetic chemistry.

• If derivatization is desired (general considerations):
  • Any late-stage functionalization strategies must be tailored to the actual scaffold (e.g., halogen handles, anilides, heteroaromatics), which are not specified here. Common LSF tactics include electrophilic aromatic substitution, C–H activation, or amide coupling at exposed functionalities, but feasibility depends entirely on the true structure.
  • Protecting-group strategies and chemoselectivity should be empirically validated to maintain the bioactive conformation and avoid deactivating key pharmacophores.
• Recommendation:
  • Obtain full structural information (SMILES, NMR/MS) from the CoA/Spec Sheet before planning any synthetic modification. For SAR campaigns, consider parallel synthesis starting from known advanced intermediates reported in the literature for this scaffold rather than modifying the final tool compound.

Target Specificity

This section is primarily intended for biological macromolecules such as antibodies (antigen/epitope/clone/isotype). For this small-molecule listing, target-binding details are not provided in the product data. If target profiling is required, consult primary literature and perform orthogonal validation assays (e.g., biochemical ATPase inhibition, cellular phenotypic rescue) with this specific lot.

• Item-specific target data: Not specified for this item; refer to CoA/Spec Sheet and peer-reviewed literature for guidance.