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Home/Compounds/CAS 737789-87-6
Formula C29H27F2N7O5SMW 623.6Research-use catalog entryCOA/SDS by request

Relugolix

CAS Number: 737789-87-6

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Loading RDKit molecule structure...
InChIKey: AOMXMOCNKJTRQP-UHFFFAOYSA-NC29H27F2N7O5S | MW 623.6

Chemical Absolute Identifiers

CAS Number

737789-87-6

PubChem CID

10348973

Molecular Formula

C29H27F2N7O5S

Molecular Weight

623.6 g/mol

Exact Mass

623.176244

InChIKey

AOMXMOCNKJTRQP-UHFFFAOYSA-N

IUPAC Name

1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea

SMILES String

CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2F)cc1

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

Relugolix (CAS 737789-87-6) is listed in the Advanced Chemicals portfolio, with molecular formula C29H27F2N7O5S and molecular weight 623. 60 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: Gonadotropin-releasing hormone receptor (Homo sapiens) — 12 assays; Gonadotropin-releasing hormone receptor (Rattus norvegicus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Gonadotropin-releasing hormone receptor

Homo sapiens · SINGLE PROTEIN · 12 qualifying assays · 3 documents · best pChEMBL 10.1

Experimental evidence source: ChEMBL

Gonadotropin-releasing hormone receptor

Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 9.49

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

Relugolix

Names & Synonyms

OrgovyxTAK 385MYFEMBREE COMPONENT RELUGOLIXN-(4-(1-((2,6-Difluorophenyl)methyl)-5-((dimethylamino)methyl)-1,2,3,4-tetrahydro-3-(6-methoxy-3-pyridazinyl)-2,4-dioxothieno(2,3-d)pyrimidin-6-yl)phenyl)-N'-methoxyureaN-[4-[1-[(2,6-Difluorophenyl)methyl]-5-[(dimethylamino)methyl]-1,2,3,4-tetrahydro-3-(6-methoxy-3-pyridazinyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-N'-methoxyurea
Show all synonyms
1-(4-{1-[(2,6-difluorophenyl)methyl]-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyureaUrea, N-(4-(1-((2,6-difluorophenyl)methyl)-5-((dimethylamino)methyl)-1,2,3,4-tetrahydro-3-(6-methoxy-3-pyridazinyl)-2,4-dioxothieno(2,3-d)pyrimidin-6-yl)phenyl)-N'-methoxy-relugolixum1-(4-(1-((2,6-difluorophenyl)methyl)-5-((dimethylamino)methyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1H,2H,3H,4H-thieno(2,3-d)pyrimidin-6-yl)phenyl)-3-methoxyurea1-(4-(1-((2,6-difluorophenyl)methyl)-5-(dimethylaminomethyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno(4,5-e)pyrimidin-6-yl)phenyl)-3-methoxyurea1-[4-[1-[(2,6-difluorophenyl)methyl]-5-(dimethylaminomethyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno[4,5-e]pyrimidin-6-yl]phenyl]-3-methoxyureaUrea, N-[4-[1-[(2,6-difluorophenyl)methyl]-5-[(dimethylamino)methyl]-1,2,3,4-tetrahydro-3-(6-methoxy-3-pyridazinyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-N'-methoxy-1-(4-(1-(2,6-difluorobenzyl)-5-((dimethylamino)methyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-3-methoxyureaRelugolix [USAN:INN]Orgovyx (TN)Relugolix (Standard)RELUGOLIX [INN]RELUGOLIX [JAN]Relugolix(TAK-385)
External Identifiers
EC NUMBER: 864-997-1DSSTOX SUBSTANCE ID: DTXSID40224167CHEMBL ID: CHEMBL1800159UNII: P76B05O5V6DRUGBANK ID: DB11853HMDB ID: HMDB0304861KEGG ID: D10888METABOLOMICS WORKBENCH ID: 152943NCI THESAURUS CODE: C114498PHARMGKB ID: PA166397681RXCUI: 2472778WIKIDATA ID: Q21099000
Literature & Patent References
DOI 10.1016/j.ejmech.2025.117245Repurposing FDA-approved drugs to target G-quadruplexes in breast cancer.DOI 10.1039/D4MD00450GMedicinal chemistry-based perspectives on thiophene and its derivatives: exploring structural insights to discover plausible druggable leads.PMID 39601022Medicinal chemistry-based perspectives on thiophene and its derivatives: exploring structural insights to discover plausible druggable leads.PMID 39793440Repurposing FDA-approved drugs to target G-quadruplexes in breast cancer.DOI 10.1016/j.ejmech.2022.114679Discovery of the thieno[2,3-d]pyrimidine-2,4-dione derivative 21a: A potent and orally bioavailable gonadotropin-releasing hormone receptor antagonist.PMID 35998545Discovery of the thieno[2,3-d]pyrimidine-2,4-dione derivative 21a: A potent and orally bioavailable gonadotropin-releasing hormone receptor antagonist.DOI 10.1021/acs.jmedchem.0c01076Discovery and Characterization of BAY 1214784, an Orally Available Spiroindoline Derivative Acting as a Potent and Selective Antagonist of the Human Gonadotropin-Releasing Hormone Receptor as Proven in a First-In-Human Study in Postmenopausal Women.DOI 10.6019/CHEMBL4495564Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen

Documentation & Compliance Facts

Compliance Facts

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Text Reference Cues

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Non-public related references

D-159687CAS 1155877-97-6
FenuronCAS 101-42-8
MonolinuronCAS 1746-81-2
2-(4-{[(Dimethylamino)carbonyl]amino}phenyl)-acetic acidCAS 1221792-49-9
NelotanserinCAS 839713-36-9

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 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 737789-87-6

What are the key identifiers for Relugolix (CAS 737789-87-6)?

Relugolix is identified by CAS 737789-87-6, with molecular formula C29H27F2N7O5S, molecular weight 623.6, InChIKey AOMXMOCNKJTRQP-UHFFFAOYSA-N.

Does CAS 737789-87-6 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Gonadotropin-releasing hormone receptor, Gonadotropin-releasing hormone receptor. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 737789-87-6?

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

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Is CAS 737789-87-6 available for quotation?

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