1258853-82-5

Basic information

• Product Name: (S)-5-(3-(3-(2,3-dihydroxypropyl)-6-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile hydrochloride
• Synonyms: (S)-5-(3-(3-(2,3-dihydroxypropyl)-6-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile hydrochloride
• CAS NO: 1258853-82-5
• Molecular Weight: 499.01
• Mol File: 1258853-82-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (S)-5-(3-(3-(2,3-dihydroxypropyl)-6-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile hydrochloride(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-5-(3-(3-(2,3-dihydroxypropyl)-6-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile hydrochloride(1258853-82-5)
• EPA Substance Registry System: (S)-5-(3-(3-(2,3-dihydroxypropyl)-6-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile hydrochloride(1258853-82-5)

Safety Data

• Hazardous Substances Data: 1258853-82-5(Hazardous Substances Data)

Upstream product

• 871501-28-9 tert-butyl 7-hydroxy-6-methyl-4,5-dihydro-1H-benzo[d]azepine-3(2H)-carboxylate 
• 871501-27-8 7-methoxy-6-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine 
• 871501-26-7 8-methoxy-9-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one 
• 871501-25-6 8-methoxy-9-methyl-1H-benzo[d]azepin-2(3H)-one 
• 871501-24-5 N-(2,2-dimethoxyethyl)-2-(3-methoxy-2-methylphenyl)acetamide 
• 33797-36-3 2-(3-methoxy-2-methylphenyl)acetic acid 
• 33797-35-2 2-(3-methoxy-2-methylphenyl)acetonitrile 
• 42981-94-2 1-(chloromethyl)-3-methoxy-2-methylbenzene 
• 55289-06-0 3-methoxy-2-methylbenzoic acid 
• 33797-34-1 (3-methoxy-2-methylphenyl)methanol 
• 258273-31-3 3-cyano-4-isopropoxybenzoic acid 
• 1258856-15-3 tert-butyl 7-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-6-methyl-4,5-dihydro-1H-benzo[d]azepine-3(2H)-carboxylate 
• 453-17-8 D-Glyceraldehyde 
• 1258856-14-2 2-isopropoxy-5-(3-(6-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-1,2,4-oxadiazol-5-yl)benzonitrile trifluoroacetate 

Relevant articles and documents

Navigating CYP1A Induction and Arylhydrocarbon Receptor Agonism in Drug Discovery. A Case History with S1P1 Agonists

This article describes the finding of substantial upregulation of mRNA and enzymes of the cytochrome P450 1A family during a lead optimization campaign for small molecule S1P1 agonists. Fold changes in mRNA up to 10 000-fold for CYP1A1 in vivo