Description
CAP-53194 is a selective Plk1 inhibitor with potential anticancer activity. CAP-53194 was identified by a high-throughput virtual screening approach using molecular docking, showing 100-fold selectivity for Plk1 over Plk2-4 and other cell cycle kinases. CAP-53194 is able to effectively exploit subtle differences between the binding sites of Plk1 and other Ser/Thr kinases, thereby enhancing their inhibitory effects. CAP-53194 meets the Lipinski compound analog criteria and passes other ADMET filters, indicating good compound compatibility. CAP-53194 belongs to a new class of potential Plk1 inhibitors suitable for subsequent compound development and testing.
Product information
CAS Number: 660817-08-3
Molecular Weight: 430.37
Formula: C21H14N6O5
Smiles: [O-][N+](=O)C1C=CC(=CC=1)N1N=NC(=C1C1C=CC=CC=1)C(=O)NC1C=CC(=CC=1)[N+]([O-])=O
InChiKey: ORYIDPDQYDBZQA-UHFFFAOYSA-N
InChi: InChI=1S/C21H14N6O5/c28-21(22-15-6-8-17(9-7-15)26(29)30)19-20(14-4-2-1-3-5-14)25(24-23-19)16-10-12-18(13-11-16)27(31)32/h1-13H,(H,22,28)
Technical Data
Appearance: Solid Power
Purity: ≥98% (or refer to the Certificate of Analysis)
Solubility: To be determined
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.
Shelf Life: ≥12 months if stored properly.
Stock Solution Storage: 0 - 4 oC for 1 month or refer to the Certificate of Analysis.
Drug Formulation: To be determined
HS Tariff Code: 382200
Products are for research use only. Not for human use.
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