N-[(1,2-Dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-methyl-1-[(1S)-1-methylpropyl]-6-[6-(1-piperazinyl)-3-pyridinyl]-1H-indole-4-carboxamide

1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(1-piperazinyl)-3-pyridinyl]-4-indolecarboxamide is a member of piperazines and a member of pyridines.

add (S) -6- bromo-1- (isobutyl) in 100mL three-necked flask - N - ((4, 6Dimethyl-2-oxo-1, 2-dihydropyridin-3-yl) methyl) -3-methyl-1 Hydrogen - indole carboxamide (365mg, 0.82mmol), 2- (piperazin-1-yl) pyridine-5-boronic acid pinacol ester (309mg, 1.07mmol, 1.3eq), phosphoric acidPotassium (522mg, 2.46mmol, 3eq), water and 1, 4-epoxy hexadecane solvent. Then, under a nitrogen blanketWas added [1, 1'-bis (diphenylphosphino) ferrocene] dichloropalladium (II) dichloromethane complex (53.9mg, 0.066 mmol), and reaction at 90 deg.] C, after purification to give the desired product 400mg (92percent yieldTo a 30 mL flask were added 9 (697mg, 1.57 mmol), 1-(5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl), piperazine (590mg, 2.04 mmol, 1.3 equiv), 1, 4-dioxane (29 mL), HTo a 30 mL microwave vial were added (S)-6-bromo-1-(sec-butyl)-N-((4, 6-dimethyl-2-oxo-1, 2-dihydropyridin-3-yl)methyl)-3-methyl-1H-indole-4-carboxamide (100 mg, 0.225 mmol), 1-(5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyridin-2-yl)piperazine (85 mg, 0.293 mmol), 1, 2-Dimethoxyethane (DME) (3 mL), water (1.000 mL) and sodium carbonate (0.338 mL, 0.675 mmol), and the mixture was degassed for 5 min by bubbling nitrogen. PdCladd (S) -6- bromo-1- (isobutyl) in 100mL three-necked flask - N - ((4, 6Dimethyl-2-oxo-1, 2-dihydropyridin-3-yl) methyl) -3-methyl-1 Hydrogen - indole carboxamide (365mg, 0.82mmol), 2- (piperazin-1-yl) pyridine-5-boronic acid pinacol ester (309mg, 1.07mmol, 1.3eq), phosphoric acidPotassium (522mg, 2.46mmol, 3eq), water and 1, 4-epoxy hexadecane solvent. Then, under a nitrogen blanketWas added [1, 1'-bis (diphenylphosphino) ferrocene] dichloropalladium (II) dichloromethane complex (53.9mg, 0.066 mmol), and reaction at 90 deg.] C, after purification to give the desired product 400mg (92percent yieldTo a 30 mL flask were added 9 (697mg, 1.57 mmol), 1-(5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl), piperazine (590mg, 2.04 mmol, 1.3 equiv), 1, 4-dioxane (29 mL), HTo a 30 mL microwave vial were added (S)-6-bromo-1-(sec-butyl)-N-((4, 6-dimethyl-2-oxo-1, 2-dihydropyridin-3-yl)methyl)-3-methyl-1H-indole-4-carboxamide (100 mg, 0.225 mmol), 1-(5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyridin-2-yl)piperazine (85 mg, 0.293 mmol), 1, 2-Dimethoxyethane (DME) (3 mL), water (1.000 mL) and sodium carbonate (0.338 mL, 0.675 mmol), and the mixture was degassed for 5 min by bubbling nitrogen. PdCl

GSK126 is a potent and highly selective S-adenosyl-methionine-competitive small molecule inhibitor of EZH2 methyltransferase enzyme activity. The inhibition activity of GSK126 on EZH2 activity may provide a promising treatment for EZH2 mutant lymphoma.

Molecular Weight:526.7
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:526.30562448
Monoisotopic Mass:526.30562448
Topological Polar Surface Area:91.3
Heavy Atom Count:39
Complexity:972
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes