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Home/Compounds/CAS 839713-36-9
Formula C18H15BrF2N4O2MW 437.2Research-use catalog entryCOA/SDS by request

Nelotanserin

CAS Number: 839713-36-9

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Loading RDKit molecule structure...
InChIKey: COSPVUFTLGQDQL-UHFFFAOYSA-NC18H15BrF2N4O2 | MW 437.2

Chemical Absolute Identifiers

CAS Number

839713-36-9

PubChem CID

11683556

Molecular Formula

C18H15BrF2N4O2

Molecular Weight

437.2 g/mol

Exact Mass

436.03464

InChIKey

COSPVUFTLGQDQL-UHFFFAOYSA-N

IUPAC Name

1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea

SMILES String

COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C

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

Nelotanserin (CAS 839713-36-9) is listed in the Advanced Chemicals portfolio, with molecular formula C18H15BrF2N4O2 and molecular weight 437. 20 g/mol.

Sourcing context

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

Research use context

Intended for research building-block and synthetic chemistry 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

Organic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: 5-hydroxytryptamine receptor 2A (Homo sapiens) — 3 assays; 5-hydroxytryptamine receptor 2C (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

5-hydroxytryptamine receptor 2A

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 2 documents · best pChEMBL 9.29

Experimental evidence source: ChEMBL

5-hydroxytryptamine receptor 2C

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.96

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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Names & Synonyms / External Identifiers

Chemical Name

Nelotanserin

Names & Synonyms

1-[3-(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)-4-METHOXYPHENYL]-3-(2,4-DIFLUOROPHENYL)UREANelotanserinaNelotanserine1-(3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl)-3-(2,4-difluorophenyl)ureaUrea, N-[3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-N'-(2,4-difluorophenyl)-
Show all synonyms
UREA, N-(3-(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)-4-METHOXYPHENYL)-N'-(2,4-DIFLUOROPHENYL)-nelotanserinumN-(3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl)-N'-(2,4-difluorophenyl)ureaN-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-N'-(2,4-difluorophenyl)urea3-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl)-1-(2,4-difluorophenyl)urea1-[3-(4-bromo-2-methylpyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)ureaNelotanserin [USAN:INN]C18H15BrF2N4O2APD125(Nelotanserin)?Nelotanserin (USAN/INN)NELOTANSERIN [INN]NELOTANSERIN [USAN]1-[3-(4-bromo-2-methyl-pyrazol-3-yl)-4-methoxy-phenyl]-3-(2,4-difluorophenyl)ureaAPD 125
External Identifiers
DSSTOX SUBSTANCE ID: DTXSID40232868CHEMBL ID: CHEMBL598172CHEBI ID: CHEBI:177438UNII: 4ZA73QEW2PDRUGBANK ID: DB12555KEGG ID: D09645METABOLOMICS WORKBENCH ID: 153523NCI THESAURUS CODE: C83996WIKIDATA ID: Q6990276
Literature & Patent References
DOI 10.1021/jm100479qSynthesis and in vivo evaluation of phenethylpiperazine amides: selective 5-hydroxytryptamine(2A) receptor antagonists for the treatment of insomnia.DOI 10.1021/jm9007328Discovery of 1-[3-(4-bromo-2-methyl-2h-pyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea (nelotanserin) and related 5-hydroxytryptamine2A inverse agonists for the treatment of insomnia.PMID 20143782Discovery of 1-[3-(4-bromo-2-methyl-2h-pyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea (nelotanserin) and related 5-hydroxytryptamine2A inverse agonists for the treatment of insomnia.PMID 20684606Synthesis and in vivo evaluation of phenethylpiperazine amides: selective 5-hydroxytryptamine(2A) receptor antagonists for the treatment of insomnia.

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

1-(2-Methoxy-5-methylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ureaCAS 2096996-78-8
1-(2,5-Dimethoxyphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ureaCAS 2096997-11-2
1-(3-Fluorophenyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ureaCAS 874302-03-1
Avn 944CAS 297730-17-7
D-159687CAS 1155877-97-6

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 59025-55-72,4-Difluorophenyl isocyanateCAS 100643-71-8DesloratadineCAS 106516-24-9SertindoleCAS 111974-69-7QuetiapineCAS 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 acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 839713-36-9

What are the key identifiers for Nelotanserin (CAS 839713-36-9)?

Nelotanserin is identified by CAS 839713-36-9, with molecular formula C18H15BrF2N4O2, molecular weight 437.2, InChIKey COSPVUFTLGQDQL-UHFFFAOYSA-N.

Does CAS 839713-36-9 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2C. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 839713-36-9?

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

Can I request supplier SDS for Nelotanserin?

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