1576239-54-7

Basic information

• Product Name: 4-((6bR,10aS)-3-butyl-2,3,6b,9,10,10ahexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)-1-(4-fluorophenyl)-1-butanone
• CAS NO: 1576239-54-7
• Molecular Weight: 435.585
• Mol File: 1576239-54-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 4-((6bR,10aS)-3-butyl-2,3,6b,9,10,10ahexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)-1-(4-fluorophenyl)-1-butanone(CAS DataBase Reference)
• NIST Chemistry Reference: 4-((6bR,10aS)-3-butyl-2,3,6b,9,10,10ahexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)-1-(4-fluorophenyl)-1-butanone(1576239-54-7)
• EPA Substance Registry System: 4-((6bR,10aS)-3-butyl-2,3,6b,9,10,10ahexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)-1-(4-fluorophenyl)-1-butanone(1576239-54-7)

Safety Data

• Hazardous Substances Data: 1576239-54-7(Hazardous Substances Data)

Upstream product

• 59564-59-9 1,2,3,4-tetrahydroquinoxalin-2-one 
• 53374-52-0 1-nitroso-3-keto-1,2,3,4-tetrahydroquinoxaline 
• 313544-31-9 2-oxo-2,3,9,10-tetrahydro-1H,7H-pyrido-[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-8-carboxylic acid ethyl ester 
• 87973-61-3 1-amino-3-keto-1,2,3,4-tetrahydroquinoxaline 
• 50709-33-6 2-bromophenylhydrazine hydrochloride 
• 1059630-11-3 6-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloric acid salt 

Relevant articles and documents

Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders

We report the synthesis and structure-activity relationships of a class of tetracyclic butyrophenones that exhibit potent binding affinities to serotonin 5-HT2A and dopamine D2 receptors. This work has led to the discovery of 4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H,7H- pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-8-yl) -1-(4-fluorophenyl)-butan-1-one 4-methylbenzenesulfonate (ITI-007), which is a potent 5-HT2A antagonist, postsynaptic D2 antagonist, and inhibitor of serotonin transporter. This multifunctional drug candidate is orally bioavailable and exhibits good antipsychotic efficacy in vivo. Currently, this investigational new drug is under clinical development for the treatment of neuropsychiatric and neurological disorders.