Research chemical

Zileuton

CAS Number: 111406-87-2

Zileuton molecular structure, CAS 111406-87-2 — Chemical structure

Product details

Identity & specification

Molecular formula: C11H12N2O2S
Molecular weight: 236.29 g/mol
Product type: Research-use catalog compound
Documentation: COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

60490

Exact Mass

236.061949

InChIKey

MWLSOWXNZPKENC-UHFFFAOYSA-N

IUPAC Name

1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea

SMILES String

CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O

Physical Properties

Appearance

Form: solid

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

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

16

H-bond acceptors

4

H-bond donors

3

Rotatable bonds

2

Ring count

2

Aromatic rings

2

Topological polar surface area

66.56 Å²

Computed LogP

2.73

Fragment-like structure rule

Yes

Lead-like structure rule

Yes

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

Zileuton (CAS 111406-87-2) is maintained as a cataloged research chemical with formula C11H12N2O2S, molecular weight 236. 29 g/mol, PubChem CID 60490.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Use this page for identity verification, package-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, fragment-like structure profile, lead-like structure profile, drug-like rule profile.

Documentation needs

SDS signal word: Warning; hazard codes: H302, H319, H351, H361; for research use only.

Applications & Classification

Package and Price Reference Supplier Catalog Sourcing Commercial Research Chemicals Heterocyclic Building BlocksResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability review

Biological target reference

ChEMBL reports experimental activity evidence for: Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus) — 22 assays; Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens) — 154 assays; Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus) — 3 assays; Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens) — 3 assays; Leukotriene B4 receptor 1 (Homo sapiens) — 5 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Polyunsaturated fatty acid 5-lipoxygenase

Rattus norvegicus · SINGLE PROTEIN · 22 qualifying assays · 20 documents · best pChEMBL 6.85

Experimental evidence source: ChEMBL

Polyunsaturated fatty acid 5-lipoxygenase

Homo sapiens · SINGLE PROTEIN · 154 qualifying assays · 82 documents · best pChEMBL 6.82

Experimental evidence source: ChEMBL

Polyunsaturated fatty acid 5-lipoxygenase

Mus musculus · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 6.72

Experimental evidence source: ChEMBL

Polyunsaturated fatty acid lipoxygenase ALOX15

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 6.4

Experimental evidence source: ChEMBL

Leukotriene B4 receptor 1

Homo sapiens · SINGLE PROTEIN · 5 qualifying assays · 2 documents · best pChEMBL 6.38

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

Synonyms & references

Names & Synonyms

ZyfloLeutrolZyflo CRZileutonumN-(1-Benzo(b)thien-2-ylethyl)-N-hydroxyurea

Show all synonyms

(+-)-1-(1-Benzo(b)thien-2-ylethyl)-1-hydroxyureaN-[1-(benzo[b]thiophen-2-yl)ethyl]-N-hydroxyurean-(1-benzo[b]thien-2-ylethyl)-n-hydroxyurea(+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyureaAbbot 640771-(1-(1-benzothiophen-2-yl)ethyl)-1-hydroxyureaN-(1-(benzo(b)thiophen-2-yl)ethyl)-N-hydroxyurea(+-)-N-Hydroxy-N-(1-benzo(b)thien-2-ylethyl)-urea1-(1-(Benzo[b]thiophen-2-yl)ethyl)-1-hydroxyureaZileutonum [INN-Latin]Abbott 64077Urea, N-(1-benzo[b]thien-2-ylethyl)-N-hydroxy-A 64077Zyflo (TN)

External Identifiers

EC NUMBER: 601-087-3DSSTOX SUBSTANCE ID: DTXSID9023752CHEMBL ID: CHEMBL93CHEBI ID: CHEBI:10112UNII: V1L22WVE2SDRUGBANK ID: DB00744HMDB ID: HMDB0014882KEGG ID: D00414METABOLOMICS WORKBENCH ID: 43046NCI THESAURUS CODE: C26667PHARMGKB ID: PA451955RXCUI: 40575WIKIDATA ID: Q202998

Literature & Patent References

DOI 10.1016/j.ejmech.2025.117327Promising thiazolidinedione-thiazole based multi-target and neuroprotective hybrids for Alzheimer's disease: Design, synthesis, in-vitro, in-vivo and in-silico studies.DOI 10.1016/j.ejmech.2025.117499Unveiling a novel pyrazolopyrimidine scaffold as a dual COX-2/5-LOX inhibitor with immunomodulatory potential: Design, synthesis, target prediction, anti-inflammatory activity, and ADME-T with docking simulation.DOI 10.1039/D4MD00471JDesign, synthesis, and evaluation of benzhydrylpiperazine-based novel dual COX-2/5-LOX inhibitors with anti-inflammatory and anti-cancer activity.PMID 39430948Design, synthesis, and evaluation of benzhydrylpiperazine-based novel dual COX-2/5-LOX inhibitors with anti-inflammatory and anti-cancer activity.PMID 39914143Promising thiazolidinedione-thiazole based multi-target and neuroprotective hybrids for Alzheimer's disease: Design, synthesis, in-vitro, in-vivo and in-silico studies.PMID 40101450Unveiling a novel pyrazolopyrimidine scaffold as a dual COX-2/5-LOX inhibitor with immunomodulatory potential: Design, synthesis, target prediction, anti-inflammatory activity, and ADME-T with docking simulation.DOI 10.1016/j.ejmech.2023.115932Identification of selective 5-LOX and FLAP inhibitors as novel anti-inflammatory agents by ligand-based virtual screening.DOI 10.1016/j.ejmech.2024.116763Discovery of a potent melatonin-based inhibitor of quinone reductase-2 with neuroprotective and neurogenic properties.

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

1We review the CAS identity, quantity, and documentation request.
2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
3We review destination and shipment documentation needs when applicable.
4We follow up with a quotation or clarification request.

Text Reference Cues

Additional text reference cues are not available for this catalog entry.

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Structure similarity{[(5-Methoxy-1-benzofuran-2-yl)methyl]sulfanyl}methanimidamideView related compound →Structure similarity(7-Methoxy-1-benzofuran-2-yl)methyl imidothiocarbamateView related compound →Structure similarity2-(4-Ethylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneView related compound →Structure similarity3-(((Tert-butoxy)carbonyl)amino)benzoic acidView related compound →Structure similarityN-(3,4-dimethoxyphenyl)-3-oxobutanamideView related compound →Synthesis reference2-AcetylbenzothiopheneView related compound →Synthesis referenceHydroxylamineView related compound →Synthesis referenceMethyl CarbamateView related compound →

Procurement notes

Sourcing context and documentation notes

Show details

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Package and specification

Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.

Final lot confirmation

Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.

Supply documentation

Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.

Quotation review

Final quote depends on quantity, lead time, destination, and supplier confirmation.

Procurement questions

Is CAS 111406-87-2 in stock?

Zileuton is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.

How is the final price confirmed?

The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.

Can MolGraph provide COA or SDS for CAS 111406-87-2?

Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.