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Home/Compounds/CAS 873054-44-5
Formula C24H28N2O3MW 392.5Research-use catalog entryCOA/SDS by request

Ivacaftor

CAS Number: 873054-44-5

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Loading RDKit molecule structure...
InChIKey: PURKAOJPTOLRMP-UHFFFAOYSA-NC24H28N2O3 | MW 392.5

Chemical Absolute Identifiers

CAS Number

873054-44-5

PubChem CID

16220172

Molecular Formula

C24H28N2O3

Molecular Weight

392.5 g/mol

Exact Mass

392.209993

InChIKey

PURKAOJPTOLRMP-UHFFFAOYSA-N

IUPAC Name

N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-1H-quinoline-3-carboxamide

SMILES String

CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C

Physical Properties

pKa

11.08

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

Catalog Facts

Structural features

Ivacaftor (CAS 873054-44-5) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C24H28N2O3 and molecular weight 392. 50 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: Cystic fibrosis transmembrane conductance regulator (Homo sapiens) — 33 assays; 5-hydroxytryptamine receptor 2B (Homo sapiens) — 3 assays; Alpha-2A adrenergic receptor (Homo sapiens) — 3 assays; Cytochrome P450 2D6 (Homo sapiens) — 2 assays; Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Cystic fibrosis transmembrane conductance regulator

Homo sapiens · SINGLE PROTEIN · 33 qualifying assays · 11 documents · best pChEMBL 8.52

Experimental evidence source: ChEMBL

5-hydroxytryptamine receptor 2B

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Alpha-2A adrenergic receptor

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Cytochrome P450 2D6

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

Experimental evidence source: ChEMBL

Gamma-aminobutyric acid receptor subunit alpha-1

Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

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Preliminary Safety Reference

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Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Ivacaftor

Names & Synonyms

KalydecoN-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamideivacaftorumORKAMBI COMPONENT IVACAFTORSYMKEVI COMPONENT IVACAFTOR
Show all synonyms
TRIKAFTA COMPONENT IVACAFTOR3-Quinolinecarboxamide, N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-3-Quinolinecarboxamide, N-(2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl)-1,4-dihydro-4-oxo-N-(2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamideN-[2,4-Bis(1,1-dimethylethyl)-5-hydroxyphenyl]-4-oxo-1,4-dihydroquinoline-3-carboxamideElexacaftor, Tezacaftor, and IvacaftorIvacaftor (VX-770)N-[2,4-Bis(tert-butyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamideIvacaftor-d18VX 770s1144Ivacaftor (4-tertbutyl-d9) (Major)Kalydeco (TN)Ivacaftor [USAN]
External Identifiers
EC NUMBER: 800-027-5DSSTOX SUBSTANCE ID: DTXSID00236281CHEMBL ID: CHEMBL2010601CHEBI ID: CHEBI:66901UNII: 1Y740ILL1ZDRUGBANK ID: DB08820HMDB ID: HMDB0015705KEGG ID: D09916METABOLOMICS WORKBENCH ID: 43729NCI THESAURUS CODE: C166523PHARMGKB ID: PA165950341RXCUI: 1243041WIKIDATA ID: Q6095693
Literature & Patent References
DOI 10.1021/acs.jmedchem.4c02547Discovery and Development of CFTR Modulators for the Treatment of Cystic Fibrosis.PMID 39882833Discovery and Development of CFTR Modulators for the Treatment of Cystic Fibrosis.DOI 10.1016/j.ejmech.2023.116120Small molecule modulators of cystic fibrosis transmembrane conductance regulator (CFTR): Structure, classification, and mechanisms.DOI 10.1021/acs.jmedchem.3c01790Discovery of GLPG2737, a Potent Type 2 Corrector of CFTR for the Treatment of Cystic Fibrosis in Combination with a Potentiator and a Type 1 Co-corrector.DOI 10.6019/CHEMBL5665443Enzyme Inhibitor Single Concentration assay results for EUbOPEN Chemogenomics LibraryDOI 10.6019/CHEMBL5724801EUbOPEN Chemogenomics Library - MultiplexPMID 38194776Small molecule modulators of cystic fibrosis transmembrane conductance regulator (CFTR): Structure, classification, and mechanisms.PMID 38527911Discovery of GLPG2737, a Potent Type 2 Corrector of CFTR for the Treatment of Cystic Fibrosis in Combination with a Potentiator and a Type 1 Co-corrector.

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

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Non-public related references

2,4-Di-tert-butyl-5-(4-oxo-1,4-dihydroquinoline-3-carboxamido)phenyl methyl carbonateCAS 1246213-45-5
Ethyl 4-oxo-1,4-dihydroquinoline-3-carboxylateCAS 52980-28-6
5-Amino-2,4-di-tert-butylphenolCAS 873055-58-4
2,4-Di-tert-butyl-5-nitrophenolCAS 873055-57-3
Carbonic acid, 5-amino-2,4-bis(1,1-dimethylethyl)phenyl methyl esteCAS 1182822-31-6

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 1246213-45-52,4-Di-tert-butyl-5-(4-oxo-1,4-dihydroquinoline-3-carboxamido)phenyl methyl carbonateCAS 52980-28-6Ethyl 4-oxo-1,4-dihydroquinoline-3-carboxylateCAS 169590-42-5CelecoxibCAS 55142-85-3TiclopidineCAS 91-75-8AntazolineCAS 459789-99-2Obeticholic AcidCAS 138402-11-6IrbesartanCAS 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 acid

RFQ questions for CAS 873054-44-5

What are the key identifiers for Ivacaftor (CAS 873054-44-5)?

Ivacaftor is identified by CAS 873054-44-5, with molecular formula C24H28N2O3, molecular weight 392.5, InChIKey PURKAOJPTOLRMP-UHFFFAOYSA-N.

Does CAS 873054-44-5 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Cystic fibrosis transmembrane conductance regulator, 5-hydroxytryptamine receptor 2B, Alpha-2A adrenergic receptor, Cytochrome P450 2D6, Gamma-aminobutyric acid receptor subunit alpha-1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 873054-44-5?

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

Can I request supplier SDS for Ivacaftor?

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Is CAS 873054-44-5 available for quotation?

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