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- Purity
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CAS Number: 843663-66-1
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CAS Number
843663-66-1
PubChem CID
5388906
Molecular Formula
C32H31BrN2O2
Molecular Weight
555.5 g/mol
Exact Mass
554.15689
InChIKey
QUIJNHUBAXPXFS-XLJNKUFUSA-N
IUPAC Name
(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
SMILES String
COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12
Melting Point
118.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Bedaquiline (CAS 843663-66-1) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C32H31BrN2O2 and molecular weight 555. 50 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.
ChEMBL reports experimental activity evidence for: Putative uncharacterized protein atpE (Mycolicibacterium smegmatis) — 3 assays; Voltage-gated inwardly rectifying potassium channel KCNH2 (Homo sapiens) — 13 assays; Replicase polyprotein 1ab (Severe acute respiratory syndrome coronavirus 2) — 2 assays; Sodium-dependent dopamine transporter (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 5 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Putative uncharacterized protein atpE
Mycolicibacterium smegmatis · SINGLE PROTEIN · 3 qualifying assays · 2 documents · best pChEMBL 8.6
Experimental evidence source: ChEMBL
Voltage-gated inwardly rectifying potassium channel KCNH2
Homo sapiens · SINGLE PROTEIN · 13 qualifying assays · 12 documents · best pChEMBL 6.43
Experimental evidence source: ChEMBL
Replicase polyprotein 1ab
Severe acute respiratory syndrome coronavirus 2 · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.36
Experimental evidence source: ChEMBL
Sodium-dependent dopamine transporter
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.54
Experimental evidence source: ChEMBL
Cytochrome P450 3A4
Homo sapiens · SINGLE PROTEIN · 5 qualifying assays · 5 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
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Bedaquiline is identified by CAS 843663-66-1, with molecular formula C32H31BrN2O2, molecular weight 555.5, InChIKey QUIJNHUBAXPXFS-XLJNKUFUSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Putative uncharacterized protein atpE, Voltage-gated inwardly rectifying potassium channel KCNH2, Replicase polyprotein 1ab, Sodium-dependent dopamine transporter, Cytochrome P450 3A4. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
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