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N-[3-[[5-bromo-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide , CAS No.N609433, Inhibitor of serine/threonine kinase 17a
Basic Description Synonyms compound 7 Specifications & Purity Moligand™ Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of serine/threonine kinase 17a
Names and Identifiers IUPAC Name N-[3-[[5-bromo-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide INCHI InChI=1S/C18H23BrF3N7O/c1-11-14(9-29(28-11)10-18(20,21)22)26-17-25-8-13(19)15(27-17)23-6-3-7-24-16(30)12-4-2-5-12/h8-9,12H,2-7,10H2,1H3,(H,24,30)(H2,23,25,26,27) InChi Key PJLYZTYJSMPZHT-UHFFFAOYSA-N Canonical SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCCCNC(=O)C2CCC2)n1 Isomeric SMILES CC1=NN(C=C1NC2=NC=C(C(=N2)NCCCNC(=O)C3CCC3)Br)CC(F)(F)F PubChem CID 145900914
References 1. Drewry DH, Annor-Gyamfi JK, Wells CI, Pickett JE, Dederer V, Preuss F, Mathea S, Axtman AD. (2022) Identification of Pyrimidine-Based Lead Compounds for Understudied Kinases Implicated in Driving Neurodegeneration.. J Med Chem, 65 (2): (1313-1328). [PMID:34333981 ]
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