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Home/Compounds/CAS 241479-67-4
Formula C22H17F2N5OSMW 437.5Research-use catalog entryCOA/SDS by request

Isavuconazole

CAS Number: 241479-67-4

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Loading RDKit molecule structure...
InChIKey: DDFOUSQFMYRUQK-RCDICMHDSA-NC22H17F2N5OS | MW 437.5

Chemical Absolute Identifiers

CAS Number

241479-67-4

PubChem CID

6918485

Molecular Formula

C22H17F2N5OS

Molecular Weight

437.5 g/mol

Exact Mass

437.112188

InChIKey

DDFOUSQFMYRUQK-RCDICMHDSA-N

IUPAC Name

4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile

SMILES String

C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F

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

Isavuconazole (CAS 241479-67-4) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C22H17F2N5OS and molecular weight 437. 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: Protein deacetylase HDAC6 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

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

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Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Isavuconazole

Names & Synonyms

isavuconazolBAL 4815isavuconazolum4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile4-(2-((2R,3R)-3-(2,5-DIFLUOROPHENYL)-3-HYDROXY-4-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-YL)-1,3-THIAZOL-4-YL)BENZONITRILE
Show all synonyms
Isavuconazole [INN]4-[2-[(1R,2R)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile4-(2-((2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrileIsavuconazole (INN)4-[2-[(1R,2R)-2-(2,5-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]thiazol-4-yl]benzonitrileBal48154-(2-((2R,3R)-Rel-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrileRO 0094815Isavuconazole (Standard)ISAVUCONAZOLE [MI]BAL-8557(pro-drug)ISAVUCONAZOLE [WHO-DD]s3722(2R,3R)-3-[4-(4-cyanophenyl)thiazol-2-yl]-1-(1H-1,2,4-triazol-1-yl)-2-(2,5-difluorophenyl)-butan-2-ol
External Identifiers
EC NUMBER: 889-355-8DSSTOX SUBSTANCE ID: DTXSID2058251CHEMBL ID: CHEMBL409153CHEBI ID: CHEBI:85979UNII: 60UTO373KEDRUGBANK ID: DB11633KEGG ID: D10750METABOLOMICS WORKBENCH ID: 152758NCI THESAURUS CODE: C64543PHARMGKB ID: PA166356301RXCUI: 1720882WIKIDATA ID: Q6079042
Literature & Patent References
DOI 10.1016/j.ejmech.2022.114161Synthetic approaches and structural diversity of triazolylbutanols derived from voriconazole in the antifungal drug development.DOI 10.1016/j.ejmech.2022.114346Targeting breast cancer resistance protein (BCRP/ABCG2): Functional inhibitors and expression modulators.PMID 35134679Synthetic approaches and structural diversity of triazolylbutanols derived from voriconazole in the antifungal drug development.PMID 35483322Targeting breast cancer resistance protein (BCRP/ABCG2): Functional inhibitors and expression modulators.DOI 10.1021/acs.jmedchem.0c02245Designing Out PXR Activity on Drug Discovery Projects: A Review of Structure-Based Methods, Empirical and Computational Approaches.DOI 10.1021/acs.jmedchem.1c00883Identification of Thiazoyl Guanidine Derivatives as Novel Antifungal Agents Inhibiting Ergosterol Biosynthesis for Treatment of Invasive Fungal Infections.DOI 10.6019/CHEMBL4808148HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activatorsPMID 34003642Designing Out PXR Activity on Drug Discovery Projects: A Review of Structure-Based Methods, Empirical and Computational Approaches.

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

Isavuconazonium SulfateCAS 946075-13-4
VoriconazoleCAS 137234-62-9
EfinaconazoleCAS 164650-44-6
Fluconazole hydrateCAS 155347-36-7
FluconazoleCAS 86386-73-4

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 946075-13-4Isavuconazonium SulfateCAS 137234-62-9VoriconazoleCAS 164650-44-6EfinaconazoleCAS 155347-36-7Fluconazole hydrateCAS 86386-73-4FluconazoleCAS 20099-89-24-(Bromoacetyl)benzonitrileCAS 106308-44-5RufinamideCAS 120068-37-3FipronilCAS 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 acid

RFQ questions for CAS 241479-67-4

What are the key identifiers for Isavuconazole (CAS 241479-67-4)?

Isavuconazole is identified by CAS 241479-67-4, with molecular formula C22H17F2N5OS, molecular weight 437.5, InChIKey DDFOUSQFMYRUQK-RCDICMHDSA-N.

Does CAS 241479-67-4 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Protein deacetylase HDAC6. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 241479-67-4?

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

Can I request supplier SDS for Isavuconazole?

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

Is CAS 241479-67-4 available for quotation?

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