Brexpiprazole (OPC-34712) is a novel partial agonist of the dopamine receptor D2 and serotonin 1A receptors, as well as an antagonist of the serotonin 2A receptor and norepinephrine alpha1B and alpha2C receptors. The Ki values for D2L, 5-HT1A, 5-HT2A, α1B and α2C receptors were 0.3, 0.12, 0.47, 0.17 and 0.59 nM, respectively.

 

Brand: BCM

 

Melting Point: 179 ~ 181°C

 

pKa: 11.22±0.70(Predicted)

 

Solubility: Soluble in DMSO. Insoluble in Water; insoluble in Ethanol.

Isomeric SMILES: C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C5C=CSC5=CC=C4  

 

InChIKey: ZKIAIYBUSXZPLP-UHFFFAOYSA-N  

 

InChI: InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)

 

Attribute
[CAS No.]	913611-97-9
[Formula]	C25H27N3O2S
[Molecular]	433.57
[Chem Name]	7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
[Synonym]	Brexpiprazole; OPC-34712
[Storage]	Keep in dark place. Inert atmosphere. Room temperature
[EINECS]	811-628-7
[MDL No.]	MFCD27987920
[Form]	White to Off-White Solid

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