1258856-14-2

Basic information

• Product Name: 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
• Synonyms: 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
• CAS NO: 1258856-14-2
• Molecular Weight: 502.493
• Mol File: 1258856-14-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 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(CAS DataBase Reference)
• NIST Chemistry Reference: 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(1258856-14-2)
• EPA Substance Registry System: 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(1258856-14-2)

Safety Data

• Hazardous Substances Data: 1258856-14-2(Hazardous Substances Data)

Upstream product

• 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 
• 76-05-1 trifluoroacetic acid 
• 871542-25-5 C₁₁H₁₅NO 
• 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 
• 1258856-18-6 tert-butyl 6-methyl-7-(((trifluoromethyl)sulfonyl)oxy)-4,5-dihydro-1H-benzo[d]azepine-3(2H)-carboxylate 
• 1258856-17-5 tert-butyl 7-cyano-6-methyl-4,5-dihydro-1H-benzo[d]azepine-3(2H)-carboxylate 

Downstream Products

• 1258856-30-2 1,1-dimethylethyl [7-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-6-methyl-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetate 
• 1258856-12-0 1,1-dimethylethyl {2-[7-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-6-methyl-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]-2-oxoethyl}carbamate 
• 1258853-83-6 (R)-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 (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 
• 1258856-34-6 5-{3-[3-(bromoacetyl)-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl]-1,2,4-oxadiazol-5-yl}-2-[(1-methylethyl)oxy]benzonitrile 

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