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4-[3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl]-2-methylbut-3-yn-2-ol , CAS No.A609105, Inhibitor of mitogen-activated protein kinase kinase kinase 14
Basic Description Specifications & Purity Moligand™ Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of mitogen-activated protein kinase kinase kinase 14
Associated Targets(Human) Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Names and Identifiers IUPAC Name 4-[3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl]-2-methylbut-3-yn-2-ol INCHI InChI=1S/C20H22N4O3/c1-20(2,25)7-6-13-4-5-16-14(10-13)15(11-22-16)18-17(27-9-8-26-3)12-23-19(21)24-18/h4-5,10-12,22,25H,8-9H2,1-3H3,(H2,21,23,24) InChi Key ZZIZLABGKZWVAW-UHFFFAOYSA-N Canonical SMILES COCCOc1cnc(nc1c1c[nH]c2c1cc(C#CC(O)(C)C)cc2)N Isomeric SMILES CC(C)(C#CC1=CC2=C(C=C1)NC=C2C3=NC(=NC=C3OCCOC)N)O PubChem CID 58221375
References 1. Li K, McGee LR, Fisher B, Sudom A, Liu J, Rubenstein SM, Anwer MK, Cushing TD, Shin Y, Ayres M et al. . (2013) Inhibiting NF-κB-inducing kinase (NIK): discovery, structure-based design, synthesis, structure-activity relationship, and co-crystal structures.. Bioorg Med Chem Lett, 23 (5): (1238-44). [PMID:23374866 ]
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