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Home/Compounds/CAS 552292-08-7
Formula C25H26F6N2O2MW 500.5Research-use catalog entryCOA/SDS by request

Rolapitant

CAS Number: 552292-08-7

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Loading RDKit molecule structure...
InChIKey: FIVSJYGQAIEMOC-ZGNKEGEESA-NC25H26F6N2O2 | MW 500.5

Chemical Absolute Identifiers

CAS Number

552292-08-7

PubChem CID

10311306

Molecular Formula

C25H26F6N2O2

Molecular Weight

500.5 g/mol

Exact Mass

500.189847

InChIKey

FIVSJYGQAIEMOC-ZGNKEGEESA-N

IUPAC Name

(5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one

SMILES String

C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

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

Rolapitant (CAS 552292-08-7) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C25H26F6N2O2 and molecular weight 500. 50 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: C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens) — 4 assays; Adhesion G-protein coupled receptor F1 (Homo sapiens) — 3 assays; Alpha-2A adrenergic receptor (Homo sapiens) — 3 assays; Apelin receptor (Homo sapiens) — 3 assays; Beta-2 adrenergic receptor (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

C5a anaphylatoxin chemotactic receptor 1

Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 2 documents

Experimental evidence source: ChEMBL

Adhesion G-protein coupled receptor F1

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

Experimental evidence source: ChEMBL

Alpha-2A adrenergic receptor

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

Experimental evidence source: ChEMBL

Apelin receptor

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

Experimental evidence source: ChEMBL

Beta-2 adrenergic receptor

Homo sapiens · SINGLE PROTEIN · 3 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

Rolapitant

Names & Synonyms

Varuby(5S,8S)-8-(((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro(4.5)decan-2-one(5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one(5S,8S)-8-{[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl}-8-phenyl-1,7-diazaspiro[4.5]decan-2-one1,7-DIAZASPIRO(4.5)DECAN-2-ONE, 8-(((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)METHYL)-8-PHENYL-, (5S,8S)-
Show all synonyms
rolapitantum(5S,8S)-8-(((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,9-diazaspiro(4.5)decan-2-oneSch 619734Rolapitant free baseVarubiRolapitant [USAN:INN](5S,8S)-8-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-oneVarubi (TN)8-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro(4,5)decan-2-oneRolapitant [INN]Rolapitant?5552292-08-7 (free base)Rolapitant (Standard)ROLAPITANT [MI]
External Identifiers
EC NUMBER: 812-147-5DSSTOX SUBSTANCE ID: DTXSID90203740CHEMBL ID: CHEMBL3707331CHEBI ID: CHEBI:90908UNII: NLE429IZUCDRUGBANK ID: DB09291KEGG ID: D10742METABOLOMICS WORKBENCH ID: 152314NCI THESAURUS CODE: C97952PHARMGKB ID: PA166396903RXCUI: 1665496WIKIDATA ID: Q76415423
Literature & Patent References
DOI 10.6019/CHEMBL5442687EUbOPEN Chemogenomics Library - GPCR Dose-ResposeDOI 10.6019/CHEMBL5665443Enzyme Inhibitor Single Concentration assay results for EUbOPEN Chemogenomics LibraryDOI 10.6019/CHEMBL5724562Toxicity screen in isolated B cell assay results for EUbOPEN Chemogenomics LibraryDOI 10.6019/CHEMBL5724581Toxicity screen in purified B cell assay results for EUbOPEN Chemogenomics LibraryDOI 10.6019/CHEMBL5209801GPCR results for EUbOPEN Chemogenomics Library 3DOI 10.6019/CHEMBL5303300EUbOPEN Chemogenomics Library - MultiplexDOI 10.6019/EOS300108ECBD screening data for assay EOS300108DOI 10.6019/CHEMBL5058564Tm Shift (DSF) assay results for EUbOPEN Chemogenomis Library 2 (Incucyte)

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

Rolapitant HydrochlorideCAS 914462-92-3
(R)-5-((((S)-1-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-2-phenylbut-3-en-2-yl)amino)methyl)-5-vinylpyrrolidin-2-oneCAS 1178515-20-2
Phenylmethyl (2R,4S)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-oxo-2,4-diphenyl-3-oxazolidinecarboxylateCAS 530441-36-2
Benzene, 1-[(1R)-1-(bromomethoxy)ethyl]-3,5-bis(trifluoromethyl)-CAS 530441-95-3
(S)-1-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-2-phenylbut-3-en-2-amine fumarateCAS 1214741-14-6

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 914462-92-3Rolapitant HydrochlorideCAS 1178515-20-2(R)-5-((((S)-1-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-2-phenylbut-3-en-2-yl)amino)methyl)-5-vinylpyrrolidin-2-oneCAS 530441-36-2Phenylmethyl (2R,4S)-4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-oxo-2,4-diphenyl-3-oxazolidinecarboxylateCAS 102146-07-6DpcpxCAS 138402-11-6IrbesartanCAS 139481-59-7CandesartanCAS 159182-43-14-[[(Hexylamino)carbonyl]amino]-N-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-benzenesulfonamideCAS 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 acid

RFQ questions for CAS 552292-08-7

What are the key identifiers for Rolapitant (CAS 552292-08-7)?

Rolapitant is identified by CAS 552292-08-7, with molecular formula C25H26F6N2O2, molecular weight 500.5, InChIKey FIVSJYGQAIEMOC-ZGNKEGEESA-N.

Does CAS 552292-08-7 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with C5a anaphylatoxin chemotactic receptor 1, Adhesion G-protein coupled receptor F1, Alpha-2A adrenergic receptor, Apelin receptor, Beta-2 adrenergic receptor. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 552292-08-7?

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

Can I request supplier SDS for Rolapitant?

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

Is CAS 552292-08-7 available for quotation?

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

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