MK-8353 - CAS 1184173-73-6

Catalog:	BB004098
Product Name:	MK-8353
CAS:	1184173-73-6
Synonyms:	(3S)-3-(methylthio)-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-3-pyrrolidinecarboxamide

Catalog	Size	Price	Stock	Quantity
BB004098	50 mg	$1099	In stock

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Technical Data

IUPAC Name:	(3S)-3-methylsulfanyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-propan-2-yloxypyridin-3-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
Description:	MK-8353 is an orally available ERK1/2 inhibitor. It exhibited antitumor activity in patients with BRAFV600-mutant melanoma.
Molecular Weight:	691.84
Molecular Formula:	C37H41N9O3S
Canonical SMILES:	CC(C)OC1=NC=C(C=C1)C2=NNC3=C2C=C(C=C3)NC(=O)C4(CCN(C4)CC(=O)N5CCC(=CC5)C6=CC=C(C=C6)C7=NN(C=N7)C)SC
InChI:	InChI=1S/C37H41N9O3S/c1-24(2)49-32-12-9-28(20-38-32)34-30-19-29(10-11-31(30)41-42-34)40-36(48)37(50-4)15-18-45(22-37)21-33(47)46-16-13-26(14-17-46)25-5-7-27(8-6-25)35-39-23-44(3)43-35/h5-13,19-20,23-24H,14-18,21-22H2,1-4H3,(H,40,48)(H,41,42)/t37-/m0/s1
InChI Key:	KPQQGHGDBBJGFA-QNGWXLTQSA-N
LogP:	5.21830

Publication Number	Title	Priority Date
WO-2021127043-A1	Combinations	20191220
WO-2021079302-A1	Pharmaceutical combination of prmt5 inhibitors	20191022
WO-2021007499-A1	Combination therapies for managing cancer	20190711
US-2018250232-A1	Process for preparing spray dried solid dispersions of (s)-n-(3-(6-isopropoxypyridin-3-yl)-1h-indazol-5-yl)-1-(2-(4-(4-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl)-3,6-dihydropyridin-1(2h)-yl)-2-oxoethyl)-3-(methylthio)pyrrolidine-3-carboxamide for pharmaceutical preparations	20150903
WO-2017040362-A1	Process for preparing spray dried solid dispersions of (s)-n-(3-(6-isopropoxypyridin-3-yl)-1h-indazol-5-yl)-1-(2-(4-(4-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl)-3,6-dihydropyridin-1(2h)-yl)-2-oxoethyl)-3- (methylthio)pyrrolidine-3-carboxamide for pharmaceutical preparations	20150903

PMID	Publication Date	Title	Journal
29467321	20180222	Development of MK-8353, an orally administered ERK1/2 inhibitor, in patients with advanced solid tumors	JCI insight
5086	19760405	On the autoxidation of bilirubin	Biochemical and biophysical research communications

Complexity:	1220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	691.30530738
Formal Charge:	0
Heavy Atom Count:	50
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	691.30530738
Rotatable Bond Count:	10
Topological Polar Surface Area:	160
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3