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- 10 mg
- Purity
- 95%
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CAS Number: 159989-64-7
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CAS Number
159989-64-7
PubChem CID
64143
Molecular Formula
C32H45N3O4S
Molecular Weight
567.8 g/mol
Exact Mass
567.313078
InChIKey
QAGYKUNXZHXKMR-HKWSIXNMSA-N
IUPAC Name
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
SMILES String
CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O
Melting Point
349.8 °C
Water Solubility
1.91 × 10⁻³ g/L
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Nelfinavir (CAS 159989-64-7) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C32H45N3O4S and molecular weight 567. 80 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: Human immunodeficiency virus type 1 protease (Human immunodeficiency virus 1) — 41 assays; Protease (Human immunodeficiency virus 1) — 12 assays; ATP-dependent translocase ABCB1 (Homo sapiens) — 16 assays; Cytochrome P450 3A4 (Homo sapiens) — 5 assays; ATP-dependent translocase ABCB1 (Mus musculus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Human immunodeficiency virus type 1 protease
Human immunodeficiency virus 1 · SINGLE PROTEIN · 41 qualifying assays · 10 documents · best pChEMBL 11
Experimental evidence source: ChEMBL
Protease
Human immunodeficiency virus 1 · SINGLE PROTEIN · 12 qualifying assays · 8 documents · best pChEMBL 10.15
Experimental evidence source: ChEMBL
ATP-dependent translocase ABCB1
Homo sapiens · SINGLE PROTEIN · 16 qualifying assays · 5 documents · best pChEMBL 6.46
Experimental evidence source: ChEMBL
Cytochrome P450 3A4
Homo sapiens · SINGLE PROTEIN · 5 qualifying assays · 4 documents · best pChEMBL 6.32
Experimental evidence source: ChEMBL
ATP-dependent translocase ABCB1
Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.64
Experimental evidence source: ChEMBL
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
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Nelfinavir is identified by CAS 159989-64-7, with molecular formula C32H45N3O4S, molecular weight 567.8, InChIKey QAGYKUNXZHXKMR-HKWSIXNMSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Human immunodeficiency virus type 1 protease, Protease, ATP-dependent translocase ABCB1, Cytochrome P450 3A4, ATP-dependent translocase ABCB1. 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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