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Home/Compounds/CAS 1338225-97-0
Formula C17H11ClF3N5O3MW 425.7Research-use catalog entryCOA/SDS by request

Doravirine

CAS Number: 1338225-97-0

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Loading RDKit molecule structure...
InChIKey: ZIAOVIPSKUPPQW-UHFFFAOYSA-NC17H11ClF3N5O3 | MW 425.7

Chemical Absolute Identifiers

CAS Number

1338225-97-0

PubChem CID

58460047

Molecular Formula

C17H11ClF3N5O3

Molecular Weight

425.7 g/mol

Exact Mass

425.050251

InChIKey

ZIAOVIPSKUPPQW-UHFFFAOYSA-N

IUPAC Name

3-chloro-5-[[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile

SMILES String

Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(C#N)c3)c2=O)n[nH]c1=O

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

Doravirine (CAS 1338225-97-0) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C17H11ClF3N5O3 and molecular weight 425. 70 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 reverse transcriptase (Human immunodeficiency virus 1) — 5 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Human immunodeficiency virus type 1 reverse transcriptase

Human immunodeficiency virus 1 · SINGLE PROTEIN · 5 qualifying assays · 5 documents · best pChEMBL 7.72

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

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Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Doravirine

Names & Synonyms

Pifeltro3-Chloro-5-((1-((4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl)oxy)benzonitrile3-chloro-5-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-3-yl]oxybenzonitriledoravirina3-Chloro-5-({1-[(4-Methyl-5-Oxo-4,5-Dihydro-1h-1,2,4-Triazol-3-Yl)methyl]-2-Oxo-4-(Trifluoromethyl)-1,2-Dihydropyridin-3-Yl}oxy)benzonitrile
Show all synonyms
DELSTRIGO COMPONENT DORAVIRINEBenzonitrile, 3-chloro-5-((1-((4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl)-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl)oxy)-Doravirinum3-chloro-5-(1-((4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl)-2-oxo-4-(trifluoromethyl)pyridin-3-yl)oxybenzonitrileBenzonitrile, 3-chloro-5-[[1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]-Doravirine (MK-1439)3-Chloro-5-[[1-[(4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-1,2-dihydro-2-oxo-4-(trifluoromethyl)-3-pyridinyl]oxy]benzonitrile3-chloro-5-[[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-3-pyridyl]oxy]benzonitrileC17H11ClF3N5O3Doravirine [USAN]Doravirine [USAN:INN]4ncgPifeltro (TN)2KW
External Identifiers
EC NUMBER: 807-060-4DSSTOX SUBSTANCE ID: DTXSID30158386CHEMBL ID: CHEMBL2364608UNII: 913P6LK81MDRUGBANK ID: DB12301HMDB ID: HMDB0251589KEGG ID: D10624METABOLOMICS WORKBENCH ID: 153315NCI THESAURUS CODE: C171848RXCUI: 2055755WIKIDATA ID: Q6885419Mk-1439a
Literature & Patent References
DOI 10.1016/j.ejmech.2024.117033Discovery of novel fused-heterocycle-bearing diarypyrimidine derivatives as HIV-1 potent NNRTIs targeting tolerant region I for enhanced antiviral activity and resistance profile.PMID 39536498Discovery of novel fused-heterocycle-bearing diarypyrimidine derivatives as HIV-1 potent NNRTIs targeting tolerant region I for enhanced antiviral activity and resistance profile.DOI 10.1021/acs.jmedchem.4c00026Discovery of Novel Aryl Triazolone Dihydropyridines (ATDPs) Targeting Highly Conserved Residue W229 as Promising HIV-1 NNRTIs.DOI 10.1021/acs.jmedchem.4c01571Fragment Addition-Based Design of Heteroaromatic-Biphenyl-DAPYs as Potent and Orally Available Non-nucleoside Reverse Transcriptase Inhibitors Featuring Significantly Enhanced Safety.DOI 10.1021/acs.jmedchem.4c02413Expanding the Solvent/Protein Region Occupation of the Non-Nucleoside Reverse Transcriptase Inhibitor Binding Pocket for Improved Broad-Spectrum Anti-HIV-1 Efficacy: from Rigid Phenyl-Diarylpyrimidines to Flexible Hydrophilic Piperidine-Diarylpyrimidines.PMID 38613773Discovery of Novel Aryl Triazolone Dihydropyridines (ATDPs) Targeting Highly Conserved Residue W229 as Promising HIV-1 NNRTIs.PMID 39352547Fragment Addition-Based Design of Heteroaromatic-Biphenyl-DAPYs as Potent and Orally Available Non-nucleoside Reverse Transcriptase Inhibitors Featuring Significantly Enhanced Safety.PMID 39498544Expanding the Solvent/Protein Region Occupation of the Non-Nucleoside Reverse Transcriptase Inhibitor Binding Pocket for Improved Broad-Spectrum Anti-HIV-1 Efficacy: from Rigid Phenyl-Diarylpyrimidines to Flexible Hydrophilic Piperidine-Diarylpyrimidines.

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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  1. 1We review the CAS identity, quantity, and documentation request.
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  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

MK-4965CAS 920035-77-4

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 500287-72-9RilpivirineCAS 129618-40-2NevirapineCAS 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 acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 1338225-97-0

What are the key identifiers for Doravirine (CAS 1338225-97-0)?

Doravirine is identified by CAS 1338225-97-0, with molecular formula C17H11ClF3N5O3, molecular weight 425.7, InChIKey ZIAOVIPSKUPPQW-UHFFFAOYSA-N.

Does CAS 1338225-97-0 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Human immunodeficiency virus type 1 reverse transcriptase. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 1338225-97-0?

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

Can I request supplier SDS for Doravirine?

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

Is CAS 1338225-97-0 available for quotation?

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