1184173-73-6

Basic information

• Product Name: (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
• CAS NO: 1184173-73-6
• Molecular Weight: 691.857
• Mol File: 1184173-73-6.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: (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(CAS DataBase Reference)
• NIST Chemistry Reference: (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(1184173-73-6)
• EPA Substance Registry System: (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(1184173-73-6)

Safety Data

• Hazardous Substances Data: 1184173-73-6(Hazardous Substances Data)

Usage

General Description

The chemical compound "(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" is a complex molecule with multiple functional groups and a long, intricate structure. It contains a pyridine ring, an indazole ring, a dihydropyridine ring, a methylthio group, and several amide and carbonyl groups. (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 could potentially have diverse biological activities and pharmaceutical applications, but further research and characterization would be needed to fully understand its properties and potential uses.

Upstream product

• 1184174-06-8 2-chloro-1-(4-(4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)-3,6-dihydropyridin-1(2H)-yl)ethan-1-one 
• 1184174-04-6 3-(4-bromophenyl)-1-methyl-1H-[1,2,4]triazole 
• 375853-82-0 tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-1(2H)-pyridinecarboxylate 
• 1184174-05-7 4-[4-(1-methyl-1H-[1,2,4]triazol-3-yl)-phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester 
• 871839-91-7 2-isopropoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine 
• 870521-31-6 5-bromo-2-isopropoxy-pyridine 
• 1184175-04-9 tert-butyl (S)-3-((3-(6-isopropoxypyridin-3-yl)-1-trityl-1H-indazol-5-yl)carbamoyl)-3-(methylthio)pyrrolidine-1-carboxylate 
• 1093063-64-9 (S)-1-(tert-butoxycarbonyl)-3-(methylthio)pyrrolidine-3-carboxylic acid 
• 1093063-63-8 1-(tert-butyl) 3-methyl (S)-3-(methylthio)pyrrolidine-1,3-dicarboxylate 
• 1093063-61-6 methyl (S)-3-(methylthio)pyrrolidine-3-carboxylate 
• 1093063-60-5 3-methylsulfanyl-pyrrolidine-3-carboxylic acid methyl ester 
• 942190-28-5 1-(tert-butyl) 3-methyl 3-(methylthio)pyrrolidine-1,3-dicarboxylate 
• 122684-33-7 methyl 1-tert-butoxycarbonyl-3-pyrrolidinecarboxylate 
• 1184174-35-3 (S)-N-(3-(6-isopropoxypyridin-3-yl)-1H-indazol-5-yl)-3-(methylthio)pyrrolidine-3-carboxamide 

Relevant articles and documents

MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology

The emergence and evolution of new immunological cancer therapies has sparked a rapidly growing interest in discovering novel pathways to treat cancer. Toward this aim, a novel series of pyrrolidine derivatives (compound 5) were identified as potent inhibitors of ERK1/2 with excellent kinase selectivity and dual mechanism of action but suffered from poor pharmacokinetics (PK). The challenge of PK was overcome by the discovery of a novel 3(S)-thiomethyl pyrrolidine analog 7. Lead optimization through focused structure-activity relationship led to the discovery of a clinical candidate MK-8353 suitable for twice daily oral dosing as a potential new cancer therapeutic.

(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 COMPOSITIONS FOR PHARMACEUTICAL PREPARATIONS

The invention includes a granular composition comprising the active ingredient (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, wherein a total amount of active ingredient comprises by weight % about 60-90% (S)-N-(3-(6-isopropoxypyridin-3-yl)-1H-indazol-5-y1)-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 Form 1 HCl, about 10-30% (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 amorphous HCl, and about 0-5% (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 amorphous free base.

COMPOUNDS THAT ARE ERK INHIBITORS

Disclosed are the ERK inhibitors of formula 1.0: and the pharmaceutically acceptable salts, and solvates thereof. Q is a tetrahydopyridinyl ring. All other substitutents are as defined herein. Also disclosed are methods of treating cancer using the compounds of formula 1.0.