MolGraph
CompoundsDocumentationComplianceAbout
MolGraph

Research chemical sourcing and molecular building block RFQ workflows.

MolGraph is operated by Tessorix Inc.

support@molgraph.com

Products are intended for laboratory research use only and are not for human or veterinary use.

Compounds

  • Compound catalog
  • CAS Search

Company

  • About
  • Contact

Documentation

  • Quality Documentation
  • SDS Disclaimer

Compliance

  • Compliance

Legal

  • Terms
  • Privacy

Copyright © 2026 MolGraph. All Rights Reserved.

Home/Compounds/CAS 159989-64-7
Formula C32H45N3O4SMW 567.8Research-use catalog entryCOA/SDS by request

Nelfinavir

CAS Number: 159989-64-7

Sourcing & RFQ

Submit an RFQ to review pricing, availability, lead time, pack size, purity, COA, and supplier SDS for this catalog entry.

Available options

Available Options

Package
10 mg
Purity
95%
Price
Request review
Availability
Shipping review required
Delivery
Shipping review required
Package
5 mg
Purity
95%
Price
Request review
Availability
Shipping review required
Delivery
Shipping review required

Shipping review is required before pricing or stock can be confirmed publicly. Shipping, duties, and documentation fees are confirmed before order acceptance.

Loading RDKit molecule structure...
InChIKey: QAGYKUNXZHXKMR-HKWSIXNMSA-NC32H45N3O4S | MW 567.8

Chemical Absolute Identifiers

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

Physical Properties

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.

Catalog Facts

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.

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: 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

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.
  • Avoid contact with skin and eyes.

PPE

Respiratory protection if needed

First Aid

  • Do not give anything to an unconscious person.
  • Rinse mouth with water.

Stability / Reactivity

  • and reactivity.
  • Carbon monoxide, carbon dioxide, nitrogen oxides, sulfur oxides.

Disposal

  • Waste product.
  • Dispose of remaining and non-recyclable solutions to a licensed company.
Show additional safety reference fields

Fire Fighting

  • If necessary, wear a self-contained breathing apparatus for firefighting.

Accidental Release

  • Do not generate dust when collecting and disposing.
  • Sweep and shovel up.

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

Nelfinavir

Names & Synonyms

3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-(2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-4-(phenylthio)butyl)-, (3S-(2-(2S*,3S*),3-alpha,4a-beta,8a-beta))-nelfinavirum(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-carboxamideViraceptViracept (TN)
Show all synonyms
Nelfinavir (INN)(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-(phenylsulfanyl)butyl]-decahydroisoquinoline-3-carboxamide1UN2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-, (3S,4aS,8aS)-NLFNELFINAVIR [INN]Nelfinavir [INN:BAN]NFV(3S,4aS,8aS)-N-(tert-Butyl)-2-((2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylthio)butyl)decahydroisoquinoline-3-carboxamide(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-((2R,3R)-2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-4-(phenylthio)butyl)-, (3S,4aS,8aS)-NELFINAVIR MESYLATE AG1343Nelfinavir?
External Identifiers
DSSTOX SUBSTANCE ID: DTXSID5035080CHEMBL ID: CHEMBL584CHEBI ID: CHEBI:7496UNII: HO3OGH5D7IDRUGBANK ID: DB00220HMDB ID: HMDB0014365KEGG ID: C07257KEGG ID: D08259METABOLOMICS WORKBENCH ID: 42622NCI THESAURUS CODE: C29285PHARMGKB ID: PA450606RXCUI: 134527WIKIDATA ID: Q423366
Literature & Patent References
DOI 10.1016/j.ejmech.2023.115772Structure and function of SARS-CoV and SARS-CoV-2 main proteases and their inhibition: A comprehensive review.DOI 10.1038/s41467-023-40064-9A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.PMID 37468498A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.PMID 37659195Structure and function of SARS-CoV and SARS-CoV-2 main proteases and their inhibition: A comprehensive review.DOI 10.1016/j.ejmech.2022.114295Design, synthesis and biological evaluations of niclosamide analogues against SARS-CoV-2.DOI 10.1016/j.ejmech.2022.114346Targeting breast cancer resistance protein (BCRP/ABCG2): Functional inhibitors and expression modulators.PMID 35344901Design, synthesis and biological evaluations of niclosamide analogues against SARS-CoV-2.PMID 35483322Targeting breast cancer resistance protein (BCRP/ABCG2): Functional inhibitors and expression modulators.

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

Nelfinavir MesylateCAS 159989-65-8
IndinavirCAS 150378-17-9
(3H)maravirocCAS 376348-65-1

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 159989-65-8Nelfinavir MesylateCAS 21829-25-4NifedipineCAS 114-07-8ErythromycinCAS 23593-75-1ClotrimazoleCAS 84625-61-6ItrizoleCAS 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 acid

RFQ questions for CAS 159989-64-7

What are the key identifiers for Nelfinavir (CAS 159989-64-7)?

Nelfinavir is identified by CAS 159989-64-7, with molecular formula C32H45N3O4S, molecular weight 567.8, InChIKey QAGYKUNXZHXKMR-HKWSIXNMSA-N.

Does CAS 159989-64-7 have reported biological target evidence?

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.

Can I request a COA for CAS 159989-64-7?

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

Can I request supplier SDS for Nelfinavir?

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

Is CAS 159989-64-7 available for quotation?

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

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.