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MLN0905 - 97%, high purity , CAS No.1228960-69-7, Inhibitor of polo like kinase 1
Basic Description Synonyms MLN0905|1228960-69-7|PLK1 Inhibitor|2-[[5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione|2-(5-(3-(DIMETHYLAMINO)PROPYL)-2-METHYLPYRIDIN-3-YLAMINO)-9-(TRIFLUOROMETHYL)-5H-BENZO[B] Specifications & Purity 97% Storage Temp Store at -20°C Shipped In Ice chest + Ice pads Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of polo like kinase 1
Names and Identifiers Pubchem Sid 488201272 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488201272 IUPAC Name 2-[[5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione INCHI InChI=1S/C24H25F3N6S/c1-14-19(9-15(12-28-14)5-4-8-33(2)3)31-23-29-13-16-10-21(34)30-20-11-17(24(25,26)27)6-7-18(20)22(16)32-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,30,34)(H,29,31,32) InChi Key CODBZFJPKJDNDT-UHFFFAOYSA-N Canonical SMILES CC1=C(C=C(C=N1)CCCN(C)C)NC2=NC=C3CC(=S)NC4=C(C3=N2)C=CC(=C4)C(F)(F)F Isomeric SMILES CC1=C(C=C(C=N1)CCCN(C)C)NC2=NC=C3CC(=S)NC4=C(C3=N2)C=CC(=C4)C(F)(F)F PubChem CID 46235922 Molecular Weight 486.56
References 1. Duffey MO, Vos TJ, Adams R, Alley J, Anthony J, Barrett C, Bharathan I, Bowman D, Bump NJ, Chau R et al. . (2012) Discovery of a potent and orally bioavailable benzolactam-derived inhibitor of Polo-like kinase 1 (MLN0905).. J Med Chem, 55 (1): (197-208). [PMID:22070629 ]
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