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Home/Compounds/CAS 54-42-2
Formula C9H11IN2O5MW 354.1Research-use catalog entryCOA/SDS by request

Idoxuridine

CAS Number: 54-42-2

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1 g
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Loading RDKit molecule structure...
InChIKey: XQFRJNBWHJMXHO-RRKCRQDMSA-NC9H11IN2O5 | MW 354.1

Chemical Absolute Identifiers

CAS Number

54-42-2

PubChem CID

5905

Molecular Formula

C9H11IN2O5

Molecular Weight

354.1 g/mol

Exact Mass

353.97127

InChIKey

XQFRJNBWHJMXHO-RRKCRQDMSA-N

IUPAC Name

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione

SMILES String

O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I

Physical Properties

Melting Point

164–166 °C

pKa

8.25

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

Catalog Facts

Structural features

Idoxuridine (CAS 54-42-2) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C9H11IN2O5 and molecular weight 354. 10 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: Thymidine kinase, cytosolic (Homo sapiens) — 2 assays; Thymidine kinase (Macacine herpesvirus 1) — 2 assays; Alpha-1A adrenergic receptor (Homo sapiens) — 2 assays; Geminin (Homo sapiens) — 2 assays; Muscarinic acetylcholine receptor M1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Thymidine kinase, cytosolic

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 7.05

Experimental evidence source: ChEMBL

Thymidine kinase

Macacine herpesvirus 1 · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.82

Experimental evidence source: ChEMBL

Alpha-1A adrenergic receptor

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

Experimental evidence source: ChEMBL

Geminin

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

Experimental evidence source: ChEMBL

Muscarinic acetylcholine receptor M1

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

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Idoxuridine

Names & Synonyms

5-Iodo-2'-deoxyuridine5-IododeoxyuridineIdoxuridinHerplexStoxil
Show all synonyms
2'-Deoxy-5-iodouridineIododeoxyridineIodoxuridineJoddeoxiuridinIUDR5IUDRIDURIduridinIdoxeneKerecid(+)-5-Iodo-2'-deoxyuridineVirudoxDendridIododeoxyuridineURIDINE, 2'-DEOXY-5-IODO-
External Identifiers
EC NUMBER: 200-207-8DSSTOX SUBSTANCE ID: DTXSID2045238CHEMBL ID: CHEMBL788CHEBI ID: CHEBI:147675UNII: LGP81V5245DRUGBANK ID: DB00249HMDB ID: HMDB0014394KEGG ID: D00342METABOLOMICS WORKBENCH ID: 42650NCI THESAURUS CODE: C563PHARMGKB ID: PA164781019RXCUI: 5653WIKIDATA ID: Q409765
Experimental Spectrum References
13C NMR Spectra1H NMR SpectraATR-IR Spectra — Forensic Spectral ResearchFTIR SpectraRaman Spectra — Forensic Spectral ResearchUV SpectraUV-VIS Spectra
Literature & Patent References
DOI 10.1016/j.isci.2024.108907Identification and evaluation of small-molecule inhibitors against the dNTPase SAMHD1 via a comprehensive screening funnelPMID 38318365Identification and evaluation of small-molecule inhibitors against the dNTPase SAMHD1 via a comprehensive screening funnelDOI 10.1038/s41467-023-40064-9A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.PMID 37468498A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.DOI 10.6019/CHEMBL4808148HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activatorsDOI 10.1101/2020.04.03.023846In vitro screening of a FDA approved chemical library reveals potential inhibitors of SARS-CoV-2 replicationDOI 10.21203/rs.3.rs-23951/v1Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collectionDOI 10.6019/CHEMBL4495564Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen

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

EdoxudinCAS 15176-29-1
FiacCAS 69123-90-6

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 15176-29-1EdoxudinCAS 66-22-8UracilCAS 30516-87-1ZidovudineCAS 112574-44-4NitrofurazoneCAS 21829-25-4NifedipineCAS 50-91-9FloxuridineCAS 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 54-42-2

What are the key identifiers for Idoxuridine (CAS 54-42-2)?

Idoxuridine is identified by CAS 54-42-2, with molecular formula C9H11IN2O5, molecular weight 354.1, InChIKey XQFRJNBWHJMXHO-RRKCRQDMSA-N.

Does CAS 54-42-2 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Thymidine kinase, cytosolic, Thymidine kinase, Alpha-1A adrenergic receptor, Geminin, Muscarinic acetylcholine receptor M1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 54-42-2?

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

Can I request supplier SDS for Idoxuridine?

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

Is CAS 54-42-2 available for quotation?

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

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