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Home/Compounds/CAS 159989-65-8
Formula C33H49N3O7S2MW 663.9Research-use catalog entryCOA/SDS by request

Nelfinavir Mesylate

CAS Number: 159989-65-8

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Loading RDKit molecule structure...
InChIKey: NQHXCOAXSHGTIA-SKXNDZRYSA-NC33H49N3O7S2 | MW 663.9

Chemical Absolute Identifiers

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

Physical Properties

pKa

-1.2

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

Catalog Facts

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.

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: 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

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.

PPE

Respiratory protection if needed

First Aid

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

Stability / Reactivity

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

Disposal

  • Dispose of the product by handing over the remaining and non-recyclable solution to a licensed company.
  • Contact a professional agency with a waste disposal license to handle this substance.
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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 Mesylate

Names & Synonyms

Nelfinavir mesilateNelfinavir MethanesulfonateNelfinaviri mesilasMesylate, NelfinavirNelfinavir Monomethane Sulfonate
Show all synonyms
Monomethane Sulfonate, NelfinavirSulfonate, Nelfinavir MonomethaneViraceptNelfinavir Mesylate [USAN]3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-, (3S,4aS,8aS)-, methanesulfonate (1:1)Nelfinavir mesylate hydrate(3S,4aS,8aS)-N-(tert-butyl)-2-((2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylthio)butyl)decahydroisoquinoline-3-carboxamide methanesulfonateViracept (TN)Nelfinavir mesilate (JAN)NFVNELFINAVIR MESILATE [JAN]Nelfin(3S,4aS,8aS)-N-tert-Butyl-2-((2R,3R)-3-(3,2-cresotamido)-2-hydroxy-4-(phenylthio)butyl)decahydro-3-isoquinolinecarboxamide monomethanesulfonate (salt)HSDB 7159(3S,4aS,8aS)-N-tert-Butyl-2-[(2R,3R)-3-(3,2-cresotamido)-2-hydroxy-4-(phenylthio)butyl]decahydro-3-isoquinolinecarboxamide monomethanesulfonate (salt)
External Identifiers
EC NUMBER: 663-870-6CHEMBL ID: CHEMBL1205CHEBI ID: CHEBI:7497UNII: 98D603VP8VKEGG ID: C08091KEGG ID: D00899NCI THESAURUS CODE: C1624RXCUI: 266565
Experimental Spectrum References
ATR-IR Spectra — Forensic Spectral ResearchFTIR Spectra — Forensic Spectral Research
Literature & Patent References
DOI 10.1016/j.bmcl.2022.128732Identification of Aloe-derived natural products as prospective lead scaffolds for SARS-CoV-2 main protease (M<sup>pro</sup>) inhibitors.PMID 35427739Identification of Aloe-derived natural products as prospective lead scaffolds for SARS-CoV-2 main protease (M<sup>pro</sup>) inhibitors.DOI 10.6019/CHEMBL4808148HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activatorsDOI 10.1101/2020.04.03.023846In vitro screening of a FDA approved chemical library reveals potential inhibitors of SARS-CoV-2 replicationDOI 10.21203/rs.3.rs-23951/v1Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collectionDOI 10.6019/CHEMBL4495564Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screenDOI 10.6019/CHEMBL4495565Cytopathic SARS-Cov2 screening on VERO-E6 cells in a large repurposing effortDOI 10.1021/jm9704098Viracept (nelfinavir mesylate, AG1343): a potent, orally bioavailable inhibitor of HIV-1 protease.

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

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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

NelfinavirCAS 159989-64-7
IndinavirCAS 150378-17-9

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 159989-64-7NelfinavirCAS 97-18-7BithionolCAS 520-36-5ApigeninCAS 265129-71-3GW-7647CAS 100-55-03-PyridinemethanolCAS 100643-71-8DesloratadineCAS 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-carboxylate

RFQ questions for CAS 159989-65-8

What are the key identifiers for Nelfinavir Mesylate (CAS 159989-65-8)?

Nelfinavir Mesylate is identified by CAS 159989-65-8, with molecular formula C33H49N3O7S2, molecular weight 663.9, InChIKey NQHXCOAXSHGTIA-SKXNDZRYSA-N.

Does CAS 159989-65-8 have reported biological target evidence?

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.

Can I request a COA for CAS 159989-65-8?

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

Can I request supplier SDS for Nelfinavir Mesylate?

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

Is CAS 159989-65-8 available for quotation?

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