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- 1 mg
- Purity
- 98%
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CAS Number: 159989-65-8
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CAS Number
159989-65-8
PubChem CID
64142
Molecular Formula
C33H49N3O7S2
Molecular Weight
663.9 g/mol
Exact Mass
663.301193
InChIKey
NQHXCOAXSHGTIA-SKXNDZRYSA-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;methanesulfonic acid
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.CS(=O)(=O)O
pKa
-1.2
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Nelfinavir Mesylate (CAS 159989-65-8) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C33H49N3O7S2 and molecular weight 663. 90 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: Cytochrome P450 3A4 (Homo sapiens) — 2 assays; Nuclear factor erythroid 2-related factor 2 (Homo sapiens) — 3 assays; Androgen receptor (Homo sapiens) — 2 assays; Bile acid receptor (Homo sapiens) — 2 assays; Glucocorticoid receptor (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Cytochrome P450 3A4
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.8
Experimental evidence source: ChEMBL
Nuclear factor erythroid 2-related factor 2
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Androgen receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Bile acid receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Glucocorticoid receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Nelfinavir Mesylate is identified by CAS 159989-65-8, with molecular formula C33H49N3O7S2, molecular weight 663.9, InChIKey NQHXCOAXSHGTIA-SKXNDZRYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Cytochrome P450 3A4, Nuclear factor erythroid 2-related factor 2, Androgen receptor, Bile acid receptor, Glucocorticoid receptor. 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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