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Home/Compounds/CAS 269055-15-4
Formula C20H15BrN6OMW 435.3Research-use catalog entryCOA/SDS by request

Etravirine

CAS Number: 269055-15-4

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Loading RDKit molecule structure...
InChIKey: PYGWGZALEOIKDF-UHFFFAOYSA-NC20H15BrN6O | MW 435.3

Chemical Absolute Identifiers

CAS Number

269055-15-4

PubChem CID

193962

Molecular Formula

C20H15BrN6O

Molecular Weight

435.3 g/mol

Exact Mass

434.04907

InChIKey

PYGWGZALEOIKDF-UHFFFAOYSA-N

IUPAC Name

4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile

SMILES String

CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N

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

Etravirine (CAS 269055-15-4) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C20H15BrN6O and molecular weight 435. 30 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) — 162 assays; Reverse transcriptase (Human immunodeficiency virus 1) — 3 assays; Cytochrome P450 2C9 (Homo sapiens) — 4 assays; Cytochrome P450 2C19 (Homo sapiens) — 4 assays; Muscarinic acetylcholine receptor M1 (Homo sapiens) — 2 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 · 162 qualifying assays · 86 documents · best pChEMBL 9.22

Experimental evidence source: ChEMBL

Reverse transcriptase

Human immunodeficiency virus 1 · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 8.92

Experimental evidence source: ChEMBL

Cytochrome P450 2C9

Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 4 documents · best pChEMBL 6.56

Experimental evidence source: ChEMBL

Cytochrome P450 2C19

Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 4 documents · best pChEMBL 6.3

Experimental evidence source: ChEMBL

Muscarinic acetylcholine receptor M1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.57

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

  • Reactivity and stability.
  • Carbon monoxide, carbon dioxide, hydrogen bromide, nitrogen oxides.

Disposal

  • Dispose of remaining and non-recyclable solutions to a licensed company.
  • Contact a professional agency with 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

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  • Avoid dust generation.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

Etravirine

Names & Synonyms

IntelenceTMC 1254-((6-Amino-5-bromo-2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrileEtravirina4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE
Show all synonyms
TMC125 cpd4-(6-Amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile4-((6-amino-5-bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethyl-benzonitrileBenzonitrile, 4-((6-amino-5-bromo-2-((4-cyanophenyl)amino)-4-pyrimidinyl)oxy)-3,5-dimethyl-Benzonitrile, 4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-etravirinum4-(6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-benzonitrileEtravirine (TMC125)Etravirine-d84-[[6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]-4-PYRIMIDINYL]OXY]-3,5-DIMETHYLBENZONITRILEC20H15BrN6OR 165335Benzonitrile,4-[[6-amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
External Identifiers
EC NUMBER: 682-331-6DSSTOX SUBSTANCE ID: DTXSID30181412CHEMBL ID: CHEMBL308954CHEBI ID: CHEBI:63589UNII: 0C50HW4FO1DRUGBANK ID: DB06414KEGG ID: D04112METABOLOMICS WORKBENCH ID: 62857NCI THESAURUS CODE: C73195PHARMGKB ID: PA166014703RXCUI: 475969WIKIDATA ID: Q414762
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.DOI 10.1016/j.ejmech.2025.117271Structure-based discovery of novel diarylpyrimidines as potent and selective Non-Nucleoside reverse transcriptase inhibitors: From CH(CN)-Biphenyl-Diarylpyrimidines to CNNH&lt;sub&gt;2&lt;/sub&gt;-Biphenyl-Diarylpyrimidines.DOI 10.1016/j.ejmech.2025.117464Structure-based design of novel 2,4,5-trisubstituted pyrimidine derivatives as potent HIV-1 NNRTIs by exploiting the tolerant regions in NNTRIs binding pocket.DOI 10.1021/acs.jmedchem.4c02848An Amazing 30-Year Journey around the DABO Family: A Medicinal Chemistry Lesson on a Versatile Class of Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors.DOI 10.1021/acs.jmedchem.5c00202Deuteration Strategy-Inspired Design of Novel Diarylpyrimidine Derivatives as Potent Non-Nucleoside Reverse Transcriptase Inhibitors Featuring Improved Efficacy, Selectivity, and Druggability.DOI 10.1039/D4MD00469HRapid identification of novel indolylarylsulfone derivatives as potent HIV-1 NNRTIs <i>via</i> miniaturized CuAAC click-chemistry-based combinatorial libraries.PMID 39421538Rapid identification of novel indolylarylsulfone derivatives as potent HIV-1 NNRTIs <i>via</i> miniaturized CuAAC click-chemistry-based combinatorial libraries.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.

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.
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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

DapivirineCAS 244767-67-7
RilpivirineCAS 500287-72-9
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 129618-40-2NevirapineCAS 244767-67-7DapivirineCAS 100-33-4PentamidineCAS 21829-25-4NifedipineCAS 82-02-0KhellinCAS 500287-72-9RilpivirineCAS 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 269055-15-4

What are the key identifiers for Etravirine (CAS 269055-15-4)?

Etravirine is identified by CAS 269055-15-4, with molecular formula C20H15BrN6O, molecular weight 435.3, InChIKey PYGWGZALEOIKDF-UHFFFAOYSA-N.

Does CAS 269055-15-4 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Human immunodeficiency virus type 1 reverse transcriptase, Reverse transcriptase, Cytochrome P450 2C9, Cytochrome P450 2C19, Muscarinic acetylcholine receptor M1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 269055-15-4?

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

Can I request supplier SDS for Etravirine?

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

Is CAS 269055-15-4 available for quotation?

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

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