GW853606 - Moligand™ , Inhibitor of polo like kinase 1, CAS No.G610776, Inhibitor of polo like kinase 1

CAS: G610776 Cat. No.: G610776 PubChem CID: 25263088

GRADE & PURITY Moligand™

Synonyms

compound 22;GW853606X

Storage

Room temperature

Specifications

Synonyme

compound 22;GW853606X

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of polo like kinase 1

Namen und Kennungen

Kanonisches Lächeln

NC(=O)c1sc(cc1OCc1ccccc1Br)n1cnc2c1cc(cc2)C(F)(F)F

IUPAC Name

3-[(2-bromophenyl)methoxy]-5-[6-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide

InChIKey

LOKKVFGDJAVMLU-UHFFFAOYSA-N

INCHI

1S/C20H13BrF3N3O2S/c21-13-4-2-1-3-11(13)9-29-16-8-17(30-18(16)19(25)28)27-10-26-14-6-5-12(7-15(14)27)20(22,23)24/h1-8,10H,9H2,(H2,25,28)

Isomere SMILES

C1=CC=C(C(=C1)COC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)C(F)(F)F)C(=O)N)Br

PubChem CID

25263088

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Thiophene carboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Alkyl aryl ethers Bromobenzenes Aryl bromides N-substituted imidazoles Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organobromides Organofluorides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Azole - Thiophene - Imidazole - Primary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organooxygen compound - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - Organic oxide - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organobromide - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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)

PLK1 Tchem Serine/threonine-protein kinase PLK1 (2 Activities)

Discover Target: PLK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

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

INSR Tclin Insulin receptor (5558 Activities)

Discover Target: INSR

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

ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)

Discover Target: ERBB2

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

PDGFRB Tclin Platelet-derived growth factor receptor beta (5195 Activities)

Discover Target: PDGFRB

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

IGF1R Tclin Insulin-like growth factor I receptor (8605 Activities)

Discover Target: IGF1R

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

KIT Tclin Stem cell growth factor receptor (10667 Activities)

Discover Target: KIT

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

CSNK2A1 Tchem Casein kinase II alpha (3512 Activities)

Discover Target: CSNK2A1

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

MAPK11 Tchem MAP kinase p38 beta (2785 Activities)

Discover Target: MAPK11

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

LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

Discover Target: LCK

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

MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)

Discover Target: MAPK14

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

CSNK1G1 Tchem Casein kinase I gamma 1 (2496 Activities)

Discover Target: CSNK1G1

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

FGFR2 Tclin Fibroblast growth factor receptor 2 (3405 Activities)

Discover Target: FGFR2

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

FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)

Discover Target: FGFR1

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

STK3 Tchem Serine/threonine-protein kinase MST2 (3069 Activities)

Discover Target: STK3

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

SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

Discover Target: SRC

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

CDK6 Tclin Cyclin-dependent kinase 6 (1724 Activities)

Discover Target: CDK6

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

CHEK2 Tchem Serine/threonine-protein kinase Chk2 (4015 Activities)

Discover Target: CHEK2

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

PDPK1 Tchem 3-phosphoinositide dependent protein kinase-1 (3758 Activities)

Discover Target: PDPK1

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

PRKAA2 Tchem AMP-activated protein kinase, alpha-2 subunit (1328 Activities)

Discover Target: PRKAA2

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

AKT2 Tchem Serine/threonine-protein kinase AKT2 (4301 Activities)

Discover Target: AKT2

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

AKT3 Tchem Serine/threonine-protein kinase AKT3 (3157 Activities)

Discover Target: AKT3

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

CHUK Tchem Inhibitor of nuclear factor kappa B kinase alpha subunit (3170 Activities)

Discover Target: CHUK

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

IKBKB Tchem Inhibitor of nuclear factor kappa B kinase beta subunit (5554 Activities)

Discover Target: IKBKB

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

AURKB Tchem Serine/threonine-protein kinase Aurora-B (6805 Activities)

Discover Target: AURKB

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

RPS6KA4 Tchem Ribosomal protein S6 kinase alpha 4 (2104 Activities)

Discover Target: RPS6KA4

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

ROCK1 Tclin Rho-associated protein kinase 1 (4723 Activities)

Discover Target: ROCK1

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

PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)

Discover Target: PIM1

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

CSK Tchem Tyrosine-protein kinase CSK (2395 Activities)

Discover Target: CSK

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

JAK3 Tclin Tyrosine-protein kinase JAK3 (8349 Activities)

Discover Target: JAK3

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

RPS6KA5 Tchem Ribosomal protein S6 kinase alpha 5 (3355 Activities)

Discover Target: RPS6KA5

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

PRKCG Tchem Protein kinase C gamma (2471 Activities)

Discover Target: PRKCG

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

PRKD3 Tchem Protein kinase C nu (2315 Activities)

Discover Target: PRKD3

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

SPHK2 Tchem Sphingosine kinase 2 (1579 Activities)

Discover Target: SPHK2

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

PRKCI Tchem Protein kinase C iota (2821 Activities)

Discover Target: PRKCI

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

PRKD1 Tchem Protein kinase C mu (1904 Activities)

Discover Target: PRKD1

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

RAF1 Tclin Serine/threonine-protein kinase RAF (4169 Activities)

Discover Target: RAF1

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

SYK Tclin Tyrosine-protein kinase SYK (7372 Activities)

Discover Target: SYK

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

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

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

ITK Tclin Tyrosine-protein kinase ITK/TSK (3699 Activities)

Discover Target: ITK

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

JAK1 Tclin Tyrosine-protein kinase JAK1 (8569 Activities)

Discover Target: JAK1

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

RPS6KA1 Tchem Ribosomal protein S6 kinase alpha 1 (2796 Activities)

Discover Target: RPS6KA1

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

JAK2 Tclin Tyrosine-protein kinase JAK2 (12915 Activities)

Discover Target: JAK2

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

RPS6KA6 Tchem Ribosomal protein S6 kinase alpha 6 (2027 Activities)

Discover Target: RPS6KA6

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

CAMK4 Tbio CaM kinase IV (2116 Activities)

Discover Target: CAMK4

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

FLT1 Tclin Vascular endothelial growth factor receptor 1 (6262 Activities)

Discover Target: FLT1

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

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

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

GSK3A Tclin Glycogen synthase kinase-3 alpha (3764 Activities)

Discover Target: GSK3A

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

PRKG2 Tchem cGMP-dependent protein kinase 2 (1612 Activities)

Discover Target: PRKG2

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

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Cdk4 Cyclin-dependent kinase 4 (3 Activities)

Discover Target: Cdk4

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

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

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

Prkcb Protein kinase C beta (2 Activities)

Discover Target: Prkcb

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

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Fgfr4 Fibroblast growth factor receptor 4 (138 Activities)

Discover Target: Fgfr4

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

Tec Tyrosine-protein kinase TEC (25 Activities)

Discover Target: Tec

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

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

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

Renilla-luciferin 2-monooxygenase (377 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 496.300 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 494.986 Da
• Monoisotopic Mass: 494.986 Da
• Topological Polar Surface Area: 98.400 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 629.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

No tested applications, protocols, or recommended dilutions are specified for GW853606 in the listing.

General protocol guidance for small-molecule screening (not item-specific):

• Stock preparation: Dissolve in DMSO at 10–50 mM; vortex and, if needed, sonicate. Record exact concentration by weight-in or by UV (if extinction coefficient is known) or by qNMR.
• Plate handling: Dispense using acoustic or pin-tool transfer to minimize DMSO carryover; include vehicle controls and known positive/negative controls.
• Assay execution: Run serial dilutions (e.g., 10-point, 1:3) to generate preliminary IC50/EC50 curves where applicable. Confirm activity with orthogonal readouts to de-risk artifacts.
• Data quality: Include Z′ factor assessment, duplicates/triplicates, and counter-screens for redox/fluorescence/aggregation interference as relevant to the assay modality.

Item-specific recommended concentrations, control targets, and validated applications: Not specified for this item; refer to internal method development and CoA if available.

Biological Roles

No target, pathway, or mechanistic annotations are provided for GW853606 in this listing. Avoid assuming biological roles without validated references.

General guidance for screening compounds (not item-specific):

• Potential roles are typically explored empirically: binding to enzymes, receptors, ion channels, transporters, or nucleic acids depending on the screening panel.
• Pre-screen for pan-assay interference (PAINS-like motifs) and aggregation tendencies to distinguish true target engagement from assay artifacts.
• If used in cells, evaluate permeability, efflux liability, and cytotoxicity windows (e.g., using live/dead assays) to contextualize phenotypic readouts.
• Metabolic stability and protein binding (microsomes/hepatocytes, plasma protein binding) inform follow-up profiling; these are not provided for this item and should be generated as needed.

Documentation:

• Record full assay conditions (solvent %, vehicle, plate type, incubation time, temperature, and detection wavelength) to enable data reproducibility and cross-comparison during SAR.

Note: Any specific biological function, MoA, or selectivity for GW853606 must be sourced from primary literature or a CoA/technical note—none are included here.

Buffer Applications

This product is a small-molecule screening compound and is not a buffer component. Conventional buffer formulation guidance is not applicable.

Practical notes for assay buffers (general; not item-specific):

• Prepare compound stocks in DMSO and dilute into assay buffers (e.g., HEPES, Tris, phosphate) keeping final DMSO ≤0.5–1% v/v to minimize assay perturbation.
• If the compound is ionizable (unknown here), buffer pH relative to the compound’s pKa can strongly influence solubility and target engagement; empirically optimize pH within the assay-acceptable range.
• Include non-ionic detergent (e.g., 0.01–0.05% Tween-20 or Triton X-100) when screening to mitigate aggregation-based inhibition, where compatible with the assay.

Item-specific buffer roles, pKa, and ionic strength effects: Not specified for this item; refer to CoA/Spec Sheet if available.

Green Alternatives

When preparing solutions or performing analytics with small-molecule screening compounds, solvent and process choices drive environmental footprint more than the compound itself.

Greener solvent considerations (general; not item-specific):

• Favor water and aqueous buffers where feasible; use minimal co-solvent (≤1% DMSO or ethanol) for assays.
• Prefer MeOH, EtOH, IPA, EtOAc, and 2-MeTHF over chlorinated solvents (DCM, CHCl3) for extraction and sample prep when compatible.
• For normal-phase work, cyclopentyl methyl ether (CPME) or EtOAc/hexane blends can be preferable to DCM.
• In LC, MeCN and MeOH are both common; MeOH is generally greener but can impact resolution. Consider gradient methods that minimize organic usage.

Tradeoffs (general):

• DMSO has excellent solvency but high boiling point and persistence; use the minimum practicable volumes and ensure proper waste segregation.
• 2-MeTHF and CPME are more sustainable ethers than THF, but may alter extraction selectivity.

Small comparison (general guidance):

• MeOH vs MeCN in LC: MeOH is greener but higher viscosity (backpressure); MeCN offers lower backpressure and sometimes sharper peaks.
• EtOAc vs DCM for workups: EtOAc is less toxic and biodegradable; may require larger volumes or brine washes to break emulsions.

Process tips:

• Right-size reaction/assay scales; design DoE to reduce repeats.
• Consolidate waste streams and use solvent recovery where permitted.

Pharmaceutical Uses

No pharmacopeial status or excipient/formulation role is provided for GW853606. This item is supplied strictly for research use only.

Context (general; not item-specific):

• Screening compounds like GW853606 may serve as internal research standards, reference materials for analytical method development, or prototype ligands in medicinal chemistry campaigns.
• They are not intended for human or veterinary use, not for diagnostic procedures, and not for incorporation into commercial drug products.

If formulation-like studies are required for research:

• Solubilization strategies may include DMSO cosolvent systems, cyclodextrin inclusion complexes, or lipid-based vehicles for in vivo research models; ensure institutional approvals and material suitability before use.

Item-specific pharmacopeial listings, impurity profiles, and residual solvent limits: Not specified for this item; refer to CoA/Spec Sheet.

Physical Properties

Item-specific physicochemical data are not provided in the current listing. Do not assume properties—verify experimentally or via the CoA/SDS.

• Physical state/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 specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable/unknown for solids; Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• pKa(s): Not specified for this item; refer to CoA/Spec Sheet.
• UV-Vis characteristics (cutoff/λmax/ε): Not specified for this item; refer to CoA/Spec Sheet.

General screening-compound guidance (literature/good practice; not item-specific):

• DMSO is commonly used to prepare 10–50 mM primary stocks for small-molecule libraries; assess solubility and stability before committing to plate storage.
• If aqueous work is intended, measure kinetic solubility in the target buffer (shake-flask or nephelometry) and evaluate precipitation risk upon dilution from DMSO.
• For aromatic/heteroaromatic tool compounds, typical UV absorption spans 200–350 nm; confirm actual spectra before HPLC/UPLC detection method setup.
• Hygroscopicity, polymorphism, or hydrate formation can impact handling and assay reproducibility; verify with a small pre-test (DSC/TGA, Karl Fischer, PXRD) when possible.

Quality and Grades

• Grade/Purity: Moligand™ (Aladdin). This designation indicates inclusion in Aladdin’s small-molecule/ligand discovery collection intended for screening, SAR, and probe development workflows.

What Moligand typically implies (general guidance):

• Intended for research screening use, typically provided at a purity suitable for biochemical and cell-based assays (often ≥95% by HPLC), but the exact assay purity, water/solvent content, and residual metals are item-specific.
• Each lot should be accompanied by analytical characterization (e.g., HPLC/UPLC purity, MS, and when available, 1H NMR). Request the CoA/Spec Sheet to confirm.

Item-specific notes for GW853606:

• Exact purity value, residual solvent content, water (KF), metal limits, and stabilizers: Not specified for this item; refer to CoA/Spec Sheet.
• Appearance and counterion/salt form (if any): Not specified for this item; refer to CoA/Spec Sheet.

Implications for use:

• For HTS and medicinal chemistry triage, verify identity/purity prior to hit follow-up. If orthogonal analytics are needed (e.g., qNMR, HRMS), request or generate data.
• If LC-UV response is low, consider LC-MS quantitation or ELSD. Establish a reference chromatographic method upon receipt.

Reaction and Applications

This product is positioned as a screening/ligand discovery small molecule (Moligand). It is generally used as a tool compound or library member rather than as a synthetic reagent.

Practical applications in research (general; not item-specific):

• Biochemical target screening: evaluate as a potential hit/ligand in enzyme or receptor assays (biochemical or biophysical), with appropriate controls to detect aggregation or assay interference.
• Cellular phenotypic assays: use as part of a chemogenomic set to probe pathway responses; titrate across multiple concentrations to establish preliminary potency windows.
• Analytical reference: prepare as a reference standard for LC/LC-MS method development, retention-time locking, and system suitability if the compound will be routinely quantified.

Assay-development tips:

• Verify solubility and absence of colloidal aggregation at working concentrations (use detergent controls, dynamic light scattering, or counter-screens).
• Include counter-assays to rule out redox cycling, fluorescence interference, or metal chelation, depending on assay readout.
• Plate handling: prepare DMSO stocks at an appropriate concentration to minimize freeze–thaw cycles; backfill plates with DMSO to normalize volumes.

Note: Without item-specific target information or functional groups, do not infer reaction chemistry or named-reaction participation for this compound. If synthetic modification is desired, first confirm the scaffold and functional handles from the CoA/NMR.

Reaction Conditions

Not applicable in a strict sense: GW853606 is offered as a screening/tool compound rather than a reagent for carrying out chemical reactions, and no functional groups or stability profiles are provided.

General handling conditions for solution preparation (not item-specific):

• Stock solutions: Dissolve in anhydrous DMSO at 10–50 mM. Sonication or gentle warming (≤37°C) may help dissolution; avoid prolonged heating.
• Filtration: If particulates persist, sterile-filter through 0.22 µm PTFE or PVDF (verify adsorption losses with a recovery check).
• Working solutions: Dilute into assay buffer or culture media to desired concentrations, maintaining consistent vehicle controls.

If derivatization or method development is attempted (only after structure confirmation):

• Screen mild conditions first (room temperature, neutral to mildly basic media) and monitor by LC-MS.
• Protect from strong oxidants/reductants until stability is assessed.

Expected yields, catalysts, and temperatures for any transformations are not provided and should not be inferred for this item.

Safety and Handling

Hazard classification and pictograms are not provided for this item in the listing. Always consult the SDS for authoritative safety information.

• 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):

• Use appropriate PPE: lab coat, safety glasses, and chemically resistant gloves (e.g., nitrile). Handle powders/solids in a fume hood to avoid dust inhalation.
• Avoid skin/eye contact and inhalation of dust or aerosols. Prevent ingestion and environmental release.
• Storage incompatibilities: Until functional groups are known, segregate from strong oxidizers, strong acids/bases, and reducing agents. Keep container tightly closed.
• First aid (overview; defer to SDS): in case of exposure, rinse affected area with water for ≥15 minutes; remove contaminated clothing; seek medical advice.
• Fire response: Many organic solids are combustible. Use CO2, dry chemical, or foam. Avoid high-pressure water streams that can spread material.
• Spill response: Avoid dust formation. Sweep with minimal agitation; collect for disposal as organic chemical waste per institutional and regulatory requirements.

Special risks (general for screening compounds):

• Unknown peroxide formation or sensitization potential—periodically review SDS updates.
• Ensure any DMSO solutions are labeled and handled to avoid transdermal exposure to dissolved actives.

Solvent Selection

No item-specific solubility profile is provided. Choose solvents empirically, starting from standard screening practices.

General recommendations for small-molecule library members (not item-specific):

• Primary stock solvent: DMSO (anhydrous) is typically preferred for 10–50 mM stocks due to broad solubilizing power and assay compatibility at ≤1% final DMSO.
• Organic solubility testing: Try DMF, DMAc, acetonitrile, methanol, ethanol, isopropanol, ethyl acetate, and THF. For lipophilic compounds, chlorinated solvents (DCM/CHCl3) may be required for analytical sample prep; avoid in biological assays.
• Aqueous media: Use co-solvent strategies (0.1–1% DMSO or 0.1–10% ethanol/PEG400) and/or cyclodextrins or serum proteins to aid solubilization, pending assay constraints.
• pH adjustment: If the compound bears ionizable groups (unknown here), moderate pH adjustments (phosphate, HEPES, citrate buffers) can markedly alter solubility; map solubility versus pH if feasible.

Selection considerations:

• For stability screening, compare solubility and stability in DMSO, MeCN, and MeOH at ambient vs 37°C.
• Avoid prolonged exposure to strong bases/acids or high temperatures unless stability is confirmed.

Quick comparison (general):

• DMSO: highest solvency; potential assay interference if >1% v/v.
• MeCN: LC-friendly; lower solvency for very lipophilic scaffolds.
• MeOH/EtOH: protic, can affect hydrogen bonding in binding assays.
• Buffer with 0.5–1% DMSO: common working diluent for biochemical assays.

Storage and Reconstitution

• Storage conditions (from product data): Room temperature. Store in original, tightly closed container, protected from light and moisture. For long-term solution storage, prefer −20°C to −80°C in aliquots to minimize freeze–thaw cycling.
• Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.

Reconstitution (general; not item-specific):

• Solvent: Anhydrous DMSO is typically preferred for preparing 10–50 mM primary stocks for screening compounds. Actual solubility for this item is not specified; verify empirically.
• Filtration: If sterile solutions are required, filter through 0.22 µm PTFE/PVDF. Confirm recovery to avoid adsorption losses.
• Aliquoting: Prepare single-use aliquots to avoid repeated freeze–thaw. Label with concentration, solvent, date, and lot.

Stability notes:

• Solid-state stability at room temperature is generally acceptable for many small molecules, but confirm with periodic HPLC checks if stored >12 months.
• Solution stability in DMSO can vary; assess by LC at time zero and after storage at intended temperature (e.g., −20°C) for 1–4 weeks.

Disposal: Collect waste and rinsates as organic chemical waste in accordance with institutional and regulatory requirements.

Research Use Note: For research use only.

Structure and Identity

Brief overview: GW853606 is listed as a small-molecule library entry (Moligand series). Item-specific structural identifiers are not provided in the current product data.

• SKU: G610776 (Aladdin Moligand library member)
• Product name: GW853606 (tool compound designation)
• CAS: G610776 (catalog placeholder; not a registry CAS)
• PubChem CID: 25263088 (literature identifier; verify prior to use)
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet. (the provided value “204952” is non-standard)
• 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 features (general guidance for Moligand library members; not item-specific):

• Typically drug-like, heteroatom-containing scaffolds designed for ligand discovery, with one or more aromatic/heteroaromatic rings and H-bond donors/acceptors.
• Often compliant with common screening-property filters (e.g., clogP and MW windows), though this must be confirmed from the CoA.

2D description (general):

• Expect a compact organic framework with defined ring systems and substituents suitable for SAR exploration. Exact functional groups, stereochemistry, and tautomers are unknown for this listing and should be confirmed from primary characterization data (NMR, HRMS) supplied on request.

Synthetic Utility

GW853606 is supplied as a screening compound rather than as a synthetic building block; no reactive handle information is provided. Without a disclosed structure, synthetic planning or named-reaction participation cannot be specified for this item.

General considerations (not item-specific):

• Many library compounds feature modifiable positions (e.g., aryl halides, amides, nitriles, heteroaryl nitrogens) that can enable parallel synthesis or late-stage diversification. Confirm presence/absence of such handles from NMR/MS/CoA before attempting derivatization.
• If analog synthesis is intended, employ small-scale scouting reactions to assess stability toward bases/acids, oxidants/reductants, and metal-catalyzed conditions.
• Purification: Reverse-phase preparative HPLC is often preferred for polar/heteroaromatic compounds; normal-phase or recrystallization may suit more hydrophobic scaffolds.

Caution:

• Do not infer reactivity or safety from unrelated analogs. Acquire the exact structural information and lot analytics to plan any synthetic manipulations.

Target Specificity

No target, epitope, or binding specificity is provided for GW853606 in the product data. This item is part of a small-molecule library and not an antibody or biologic; antigen/isotype fields are not applicable.

• Target/Pathway: Not specified for this item; refer to literature or internal screening results.
• Species selectivity: Not specified for this item; refer to experimental data.
• Off-target profile: Not specified for this item; generate via panel screening if needed.