1089115-04-7

Basic information

• Product Name: Aripiprazole-d8 (Butyl-d8)
• Synonyms: Aripiprazole-d8 (Butyl-d8);7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy-d8]-3,4- dihydrocarbostyril;7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy-d8]-3,4-dihydro-2(1H)-quinolinone;7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy-d8]-3,4-dihydro-2(1H)-quinolinone;Aripiprazole-d8 solution;7-[1,1,2,2,3,3,4,4-octadeuterio-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
• CAS NO: 1089115-04-7
• Molecular Formula: C₂₃H₂₇Cl₂N₃O₂
• Molecular Weight: 448.38538
• EINECS: 200-835-2
• Product Categories: Heterocycles;Intermediates & Fine Chemicals;Isotope Labelled Compounds;Neurochemicals;Pharmaceuticals
• Mol File: 1089115-04-7.mol
• Article Data: 3

Chemical Properties

• Melting Point: 137-139°C
• Boiling Point: 646.184 °C at 760 mmHg
• Flash Point: 2℃
• Appearance: /
• Density: 1.286 g/cm³
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), DMSO (Slightly)
• CAS DataBase Reference: Aripiprazole-d8 (Butyl-d8)(CAS DataBase Reference)
• NIST Chemistry Reference: Aripiprazole-d8 (Butyl-d8)(1089115-04-7)
• EPA Substance Registry System: Aripiprazole-d8 (Butyl-d8)(1089115-04-7)

Safety Data

• Hazard Codes: F,Xn
• Statements: 11-20/21/22-36
• Safety Statements: 16-36/37
• RIDADR: UN 1648 3 / PGII
• WGK Germany: 2
• Hazardous Substances Data: 1089115-04-7(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

Uses

Different sources of media describe the Uses of 1089115-04-7 differently. You can refer to the following data:
1. A deuterated version of Aripiprazole, a selective dopamine D2-receptor antagonist with dopamine autoreceptor agonist activity.
2. Aripiprazole-d8 (Butyl-d8) is deuterated version of Aripiprazole, a selective dopamine D2-receptor antagonist with dopamine autoreceptor agonist activity.

General Description

Aripiprazole, marketed as Abilify?, is an atypical antipsychotic and antidepressant drug used to treat schizophrenia, bipolar disorder, and clinical depression. This new internal standard is suitable for the quantitation of aripiprazole in biological samples using LCMS or GCMS applications.

Upstream product

• 56961-77-4 1-bromo-2,3-dichlorobenzene 
• 22246-18-0 7-hydroxy-3,4-dihydro-2-(1H)-quinolinone 
• 119532-26-2 1-(2,3-dichlorophenyl)-piperazine hydrochloride 
• 1215336-46-1 7-(4-bromobutoxy-d8)-3,4-dihydro-2(1H)-quinolinone 

Relevant articles and documents

Efficient synthesis of deuterium labeled hydroxyzine and aripiprazole

Hydroxyzine and aripiprazole are active pharmaceutical ingredients that have been largely acknowledged for their antipsychotic properties. Deuterium labeled isotopes of hydroxyzine and aripiprazole are internal standards that can aid in the further research of non-isotopic forms via quantification analysis using HPLC-MS/MS. The synthesis of hydroxyzine-d8 was accomplished by coupling piperazine-d8 with 4-chlorobenzhydryl chloride followed by the reaction of the first intermediate with 2-(2-chloroethoxy) ethanol to afford 11.7% of hydroxyzine-d8 with 99.5% purity. The synthesis of aripiprazole-d8 was also achieved in two steps. 1,4-Dibromobutane-d8 reacted with 7-hydroxy-3,4-dihydro-2(1H)-quinolinone. The first intermediate was then coupled with 1-(2, 3-dichlorophenyl)piperazine hydrochloride to produce 33.4% of aripiprazole-d8 with 99.93% purity.

ARYLPIPERAZINE MODULATORS OF D2 RECEPTORS, 5-HT1A RECEPTORS, AND/OR 5-HT2A RECEPTORS

The present invention relates to new arylpiperazine modulators of D2 receptors, 5-HT1A receptors, and/or 5-HT2A receptors, pharmaceutical compositions thereof, and methods of use thereof.