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Home/Compounds/CAS 1350462-55-3
Formula C38H50N6O9SMW 766.9Research-use catalog entryCOA/SDS by request

Grazoprevir

CAS Number: 1350462-55-3

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Loading RDKit molecule structure...
InChIKey: OBMNJSNZOWALQB-NCQNOWPTSA-NC38H50N6O9S | MW 766.9

Chemical Absolute Identifiers

CAS Number

1350462-55-3

PubChem CID

44603531

Molecular Formula

C38H50N6O9S

Molecular Weight

766.9 g/mol

Exact Mass

766.335998

InChIKey

OBMNJSNZOWALQB-NCQNOWPTSA-N

IUPAC Name

(1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxamide

SMILES String

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1

Physical Properties

No physical property values available.

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

Catalog Facts

Structural features

Grazoprevir (CAS 1350462-55-3) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C38H50N6O9S and molecular weight 766. 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: Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus) — 7 assays; NS3 (Hepatitis C virus) — 15 assays; NS3 protease (Hepatitis C virus subtype 1b) — 4 assays; Genome polyprotein (Hepacivirus C) — 3 assays; Protein deacetylase HDAC6 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Hepatitis C virus serine protease, NS3/NS4A

Hepatitis C virus · PROTEIN COMPLEX · 7 qualifying assays · 3 documents · best pChEMBL 11

Experimental evidence source: ChEMBL

NS3

Hepatitis C virus · SINGLE PROTEIN · 15 qualifying assays · 1 documents · best pChEMBL 10.4

Experimental evidence source: ChEMBL

NS3 protease

Hepatitis C virus subtype 1b · SINGLE PROTEIN · 4 qualifying assays · 1 documents · best pChEMBL 10.15

Experimental evidence source: ChEMBL

Genome polyprotein

Hepacivirus C · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 9.85

Experimental evidence source: ChEMBL

Protein deacetylase HDAC6

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

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

Grazoprevir

Names & Synonyms

MK-5172 ANHYDROUSMK-5172 MONOHYDRATEgrazoprevirumGrazoprevir HydrateGrazoprevir monohydrate
Show all synonyms
Grazoprevir anhydrousGrazoprevir [INN]GRAZOPREVIR [MI]Grazoprevir (USAN/INN)GRAZOPREVIR [WHO-DD]s3728ino[11,12-b]quinoxaline-8-carboxamideMK-5172?Zepatier [elbasvir (NS5A inhibitor) + grazoprevir](1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec
External Identifiers
EC NUMBER: 808-306-3DSSTOX SUBSTANCE ID: DTXSID50159234CHEMBL ID: CHEMBL2063090CHEMBL ID: CHEMBL3039533CHEBI ID: CHEBI:132975UNII: 8YE81R1X1JDRUGBANK ID: DB11575KEGG ID: D11565METABOLOMICS WORKBENCH ID: 144499NCI THESAURUS CODE: C166768NCI THESAURUS CODE: C175724PHARMGKB ID: PA166163437RXCUI: 1871173WIKIDATA ID: Q19786991
Literature & Patent References
DOI 10.1016/j.ejmech.2023.115919Synthetic approaches and application of clinically approved small-molecule drugs to treat hepatitis.PMID 37922830Synthetic approaches and application of clinically approved small-molecule drugs to treat hepatitis.DOI 10.1021/acs.jmedchem.1c01687Dose Number as a Tool to Guide Lead Optimization for Orally Bioavailable Compounds in Drug Discovery.PMID 35060378Dose Number as a Tool to Guide Lead Optimization for Orally Bioavailable Compounds in Drug Discovery.DOI 10.1021/acs.jmedchem.1c00554Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants.DOI 10.6019/CHEMBL4651402Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activityDOI 10.6019/CHEMBL4808148HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activatorsPMID 34405680Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants.

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

GrazoprevirCAS 1350514-68-9
Grazoprevir potassiumCAS 1206524-86-8
VoxilaprevirCAS 1535212-07-7
VaniprevirCAS 923590-37-8
AsunaprevirCAS 630420-16-5

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 1350514-68-9GrazoprevirCAS 1206524-86-8Grazoprevir potassiumCAS 1535212-07-7VoxilaprevirCAS 923590-37-8VaniprevirCAS 1370468-36-2ElbasvirCAS 1132935-63-7DasabuvirCAS 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 1350462-55-3

What are the key identifiers for Grazoprevir (CAS 1350462-55-3)?

Grazoprevir is identified by CAS 1350462-55-3, with molecular formula C38H50N6O9S, molecular weight 766.9, InChIKey OBMNJSNZOWALQB-NCQNOWPTSA-N.

Does CAS 1350462-55-3 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Hepatitis C virus serine protease, NS3/NS4A, NS3, NS3 protease, Genome polyprotein, Protein deacetylase HDAC6. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 1350462-55-3?

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

Can I request supplier SDS for Grazoprevir?

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

Is CAS 1350462-55-3 available for quotation?

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

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