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Home/Compounds/CAS 59729-37-2
Formula C12H13N3O3SMW 279.32Research-use catalog entryCOA/SDS by request

Fexinidazole

CAS Number: 59729-37-2

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Loading RDKit molecule structure...
InChIKey: MIWWSGDADVMLTG-UHFFFAOYSA-NC12H13N3O3S | MW 279.32

Chemical Absolute Identifiers

CAS Number

59729-37-2

PubChem CID

68792

Molecular Formula

C12H13N3O3S

Molecular Weight

279.32 g/mol

Exact Mass

279.067762

InChIKey

MIWWSGDADVMLTG-UHFFFAOYSA-N

IUPAC Name

1-methyl-2-[(4-methylsulfanylphenoxy)methyl]-5-nitroimidazole

SMILES String

CN1C(=CN=C1COC2=CC=C(C=C2)SC)[N+](=O)[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

Fexinidazole (CAS 59729-37-2) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C12H13N3O3S and molecular weight 279. 32 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: Voltage-gated inwardly rectifying potassium channel KCNH2 (Homo sapiens) — 3 assays; Protein deacetylase HDAC6 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Voltage-gated inwardly rectifying potassium channel KCNH2

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

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

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Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Fexinidazole

Names & Synonyms

FexinidazolFexinidazolum1-methyl-2-{[4-(methylsulfanyl)phenoxy]methyl}-5-nitro-1H-imidazole1-methyl-2-((4-(methylsulfanyl)phenoxy)methyl)-5-nitro-1H-imidazole1-Methyl-2-((4-(methylthio)phenoxy)methyl)-5-nitro-1H-imidazole
Show all synonyms
HOE 2391-Methyl-2-((p-(methylthio)phenoxy)methyl)-5-nitroimidazole1-Methyl-2-((4-(methylthio)phenoxy)-methyl)-5-nitro-1H-imidazole1-Methyl-2-[[4-(methylthio)phenoxy]methyl]-5-nitro-1H-imidazoleFexinidazole [INN]Fexinidazol [INN-Spanish]Fexinidazolum [INN-Latin]1-Methyl-2-{[4-(methylthio)phenoxy]methyl}-5-nitro-1H-imidazoleFexinidazole (Standard)Fexinidazole (USAN/INN)Fexinidazole [USAN:INN]FEXINIDAZOLE [USAN]Fexinidazole (HOE-239)
External Identifiers
EC NUMBER: 682-380-3DSSTOX SUBSTANCE ID: DTXSID00208448CHEMBL ID: CHEMBL1631694UNII: 306ERL82IRDRUGBANK ID: DB12265HMDB ID: HMDB0252240KEGG ID: D11252METABOLOMICS WORKBENCH ID: 153285NCI THESAURUS CODE: C65680RXCUI: 2564146WIKIDATA ID: Q5446115Hoe-239
Literature & Patent References
DOI 10.1016/j.bmcl.2024.129825Novel 4-[4-(4-methylpiperazin-1-yl)phenyl]-6-arylpyrimidine derivatives and their antitrypanosomal activities against T.brucei.DOI 10.1016/j.ejmech.2023.115954Discovery of an orally active nitrothiophene-based antitrypanosomal agent.DOI 10.1039/d4md00426dFexinidazole optimization: enhancing anti-leishmanial profile, metabolic stability and hERG safety.PMID 37984297Discovery of an orally active nitrothiophene-based antitrypanosomal agent.PMID 38823730Novel 4-[4-(4-methylpiperazin-1-yl)phenyl]-6-arylpyrimidine derivatives and their antitrypanosomal activities against T.brucei.PMID 39297060Fexinidazole optimization: enhancing anti-leishmanial profile, metabolic stability and hERG safety.DOI 10.1021/acs.jmedchem.3c00281Discovery of New <i>Fusobacterium nucleatum</i> Inhibitors to Attenuate Migratory Capability of Colon Cancer Cells by the Drug Repositioning Strategy.DOI 10.1021/acs.jmedchem.3c00697Synthesis and Biophysical and Biological Studies of <i>N</i>-Phenylbenzamide Derivatives Targeting Kinetoplastid Parasites.

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

RonidazoleCAS 7681-76-7
SecnidazoleCAS 3366-95-8
Ornidazole, (S)-CAS 166734-83-4
NimorazoleCAS 6506-37-2
Dextrorotation nimorazole phosphate esterCAS 1124347-33-6

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 7681-76-7RonidazoleCAS 1000787-75-6TegobuvirCAS 100643-71-8DesloratadineCAS 1032900-25-6CeritinibCAS 100-88-9CyclamateCAS 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 acid

RFQ questions for CAS 59729-37-2

What are the key identifiers for Fexinidazole (CAS 59729-37-2)?

Fexinidazole is identified by CAS 59729-37-2, with molecular formula C12H13N3O3S, molecular weight 279.32, InChIKey MIWWSGDADVMLTG-UHFFFAOYSA-N.

Does CAS 59729-37-2 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Voltage-gated inwardly rectifying potassium channel KCNH2, Protein deacetylase HDAC6. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 59729-37-2?

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

Can I request supplier SDS for Fexinidazole?

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

Is CAS 59729-37-2 available for quotation?

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

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