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Home/Compounds/CAS 913611-97-9
Formula C25H27N3O2SMW 433.6Research-use catalog entryCOA/SDS by request

Brexpiprazole

CAS Number: 913611-97-9

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Loading RDKit molecule structure...
InChIKey: ZKIAIYBUSXZPLP-UHFFFAOYSA-NC25H27N3O2S | MW 433.6

Chemical Absolute Identifiers

CAS Number

913611-97-9

PubChem CID

11978813

Molecular Formula

C25H27N3O2S

Molecular Weight

433.6 g/mol

Exact Mass

433.182398

InChIKey

ZKIAIYBUSXZPLP-UHFFFAOYSA-N

IUPAC Name

7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one

SMILES String

O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Brexpiprazole (CAS 913611-97-9) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C25H27N3O2S and molecular weight 433. 60 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Pharmaceutical Intermediate ResearchResearch intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: 5-hydroxytryptamine receptor 1A (Homo sapiens) — 4 assays; D(2) dopamine receptor (Rattus norvegicus) — 2 assays; D(2) dopamine receptor (Homo sapiens) — 11 assays; 5-hydroxytryptamine receptor 2B (Homo sapiens) — 2 assays; 5-hydroxytryptamine receptor 2A (Homo sapiens) — 4 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

5-hydroxytryptamine receptor 1A

Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 4 documents · best pChEMBL 9.92

Experimental evidence source: ChEMBL

D(2) dopamine receptor

Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 9.7

Experimental evidence source: ChEMBL

D(2) dopamine receptor

Homo sapiens · SINGLE PROTEIN · 11 qualifying assays · 6 documents · best pChEMBL 9.52

Experimental evidence source: ChEMBL

5-hydroxytryptamine receptor 2B

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 9.4

Experimental evidence source: ChEMBL

5-hydroxytryptamine receptor 2A

Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 4 documents · best pChEMBL 9.33

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Brexpiprazole

Names & Synonyms

RexultiOPC 34712brexpiprazol7-(4-(4-(1-Benzothiophen-4-yl)piperazin-1-yl)butoxy)quinolin-2(1H)-one7-{4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy}-1,2-dihydroquinolin-2-one
Show all synonyms
brexpiprazolum7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butoxy)-1H-quinolin-2-one7-{4-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]butoxy}quinolin-2(1H)-one7-(4-(4-(1-benzothiophen-4-yl)piperazin-1-yl)butoxy)-1,2-dihydroquinolin-2-one7-(4-(4-(Benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)quinolin-2(1H)-one7-[4-(4-Benzo[b]thien-4-yl-1-piperazinyl)butoxy]-2(1H)-quinolinoneBrexpiprazole [USAN]Brexpiprazole [USAN:INN]RxultiRexulti (TN)PS33 - BrexpiprazoleBrexpiprazole (Standard)BREXPIPRAZOLE [MI]BREXPIPRAZOLE [INN]
External Identifiers
EC NUMBER: 811-628-7EC NUMBER: 945-906-5DSSTOX SUBSTANCE ID: DTXSID40238527CHEMBL ID: CHEMBL2105760CHEBI ID: CHEBI:134716UNII: 2J3YBM1K8CDRUGBANK ID: DB09128HMDB ID: HMDB0249379KEGG ID: D10309METABOLOMICS WORKBENCH ID: 152169NCI THESAURUS CODE: C166575PHARMGKB ID: PA166160053RXCUI: 1658314WIKIDATA ID: Q2924764
Experimental Spectrum References
ATR-IR Spectra — Forensic Spectral ResearchFTIR Spectra — Forensic Spectral ResearchRaman Spectra — Forensic Spectral Research
Literature & Patent References
DOI 10.1021/acs.jmedchem.4c02291Rational Design of the First Dual Agonist at Trace Amine-Associated Receptor 1 and 5-HT<sub>2C</sub> Receptors Based on Binding Pocket Similarity for the Treatment of Schizophrenia and Alzheimer's Disease-Related Psychosis.PMID 40159850Rational Design of the First Dual Agonist at Trace Amine-Associated Receptor 1 and 5-HT<sub>2C</sub> Receptors Based on Binding Pocket Similarity for the Treatment of Schizophrenia and Alzheimer's Disease-Related Psychosis.DOI 10.6019/CHEMBL5442175EUbOPEN Chemogenomics Library - PDSP Secondary BindingDOI 10.6019/CHEMBL5442219EUbOPEN Chemogenomics Library - PDSP Primary BindingDOI 10.6019/CHEMBL5442687EUbOPEN Chemogenomics Library - GPCR Dose-ResposeDOI 10.6019/CHEMBL5665443Enzyme Inhibitor Single Concentration assay results for EUbOPEN Chemogenomics LibraryDOI 10.6019/CHEMBL5724801EUbOPEN Chemogenomics Library - MultiplexDOI 10.6019/CHEMBL5209801GPCR results for EUbOPEN Chemogenomics Library 3

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

Show non-linked catalog cues

Non-public related references

7-HydroxycarbostyrilCAS 70500-72-0
4-Bromobenzo[b]thiopheneCAS 5118-13-8

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 111974-69-7QuetiapineCAS 132539-06-1OlanzapineCAS 160970-54-7SilodosinCAS 274693-27-5TicagrelorCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 913611-97-9

What are the key identifiers for Brexpiprazole (CAS 913611-97-9)?

Brexpiprazole is identified by CAS 913611-97-9, with molecular formula C25H27N3O2S, molecular weight 433.6, InChIKey ZKIAIYBUSXZPLP-UHFFFAOYSA-N.

Does CAS 913611-97-9 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with 5-hydroxytryptamine receptor 1A, D(2) dopamine receptor, D(2) dopamine receptor, 5-hydroxytryptamine receptor 2B, 5-hydroxytryptamine receptor 2A. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 913611-97-9?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Brexpiprazole?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 913611-97-9 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

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