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Home/Compounds/CAS 152044-54-7
Formula C27H41NO6SMW 507.7Research-use catalog entryCOA/SDS by request

Epothilone B

CAS Number: 152044-54-7

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Loading RDKit molecule structure...
InChIKey: QXRSDHAAWVKZLJ-PVYNADRNSA-NC27H41NO6S | MW 507.7

Chemical Absolute Identifiers

CAS Number

152044-54-7

PubChem CID

448013

Molecular Formula

C27H41NO6S

Molecular Weight

507.7 g/mol

Exact Mass

507.265459

InChIKey

QXRSDHAAWVKZLJ-PVYNADRNSA-N

IUPAC Name

(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

SMILES String

C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)C)/C)C

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

Epothilone B (CAS 152044-54-7) is listed in the Advanced Chemicals portfolio, with molecular formula C27H41NO6S and molecular weight 507. 70 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

Natural Product ResearchSynthetic 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: Nuclear receptor subfamily 1 group I member 2 (Rattus norvegicus) — 2 assays; Nuclear receptor subfamily 1 group I member 2 (Homo sapiens) — 4 assays; Peripheral myelin protein 22 (Rattus norvegicus) — 2 assays; Protein deacetylase HDAC6 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Nuclear receptor subfamily 1 group I member 2

Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 8

Experimental evidence source: ChEMBL

Nuclear receptor subfamily 1 group I member 2

Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 1 documents · best pChEMBL 4.9

Experimental evidence source: ChEMBL

Peripheral myelin protein 22

Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Protein deacetylase HDAC6

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.

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Preliminary Safety Reference

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Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Epothilone B

Names & Synonyms

Patupilone(-)-Epothilone BEpo BEpothilon BEPO 906
Show all synonyms
patupilonaEpithilone bEPO 906Apatupilonum(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione4,17-DIOXABICYCLO(14.1.0)HEPTADECANE-5,9-DIONE, 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-((1E)-1-METHYL-2-(2-METHYL-4-THIAZOLYL)ETHENYL)-, (1S,3S,7S,10R,11S,12S,16R)-4,17-Dioxabicyclo[14.1.0]heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, (1S,3S,7S,10R,11S,12S,16R)-(1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-((1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-4,17-dioxabicyclo(14.1.0)heptadecane-5,9-dione(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo(14.1.0)heptadecane-5,9-dionePatupilone (Epothilone B)Patupilone [INN](1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dioneEpothilone B (synthetic)7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE
External Identifiers
EC NUMBER: 604-822-6DSSTOX SUBSTANCE ID: DTXSID4046862CHEMBL ID: CHEMBL94657CHEBI ID: CHEBI:31550UNII: UEC0H0URSEDRUGBANK ID: DB03010KEGG ID: C12154METABOLOMICS WORKBENCH ID: 21313NCI THESAURUS CODE: C1623WIKIDATA ID: Q27093987
Experimental Spectrum References
13C NMR Spectra
Literature & Patent References
DOI 10.1016/j.bmc.2024.117980Ringing medicinal chemistry: The importance of 3-membered rings in drug discovery.DOI 10.1021/acs.jmedchem.4c00585Arcopilins: A New Family of <i>Staphylococcus aureus</i> Biofilm Disruptors from the Soil Fungus <i>Arcopilus navicularis</i>.PMID 39141525Arcopilins: A New Family of <i>Staphylococcus aureus</i> Biofilm Disruptors from the Soil Fungus <i>Arcopilus navicularis</i>.PMID 39536361Ringing medicinal chemistry: The importance of 3-membered rings in drug discovery.DOI 10.1016/j.ejmech.2023.115693Tumor selective self-assembled nanomicelles of carbohydrate-epothilone B conjugate for targeted chemotherapy.DOI 10.1021/acs.jnatprod.3c00174&lt;i&gt;ent&lt;/i&gt;-Clavilactone J and Its Quinone Derivative, Meroterpenoids from the Fungus &lt;i&gt;Resupinatus&lt;/i&gt; sp.PMID 37531745Tumor selective self-assembled nanomicelles of carbohydrate-epothilone B conjugate for targeted chemotherapy.PMID 37931226&lt;i&gt;ent&lt;/i&gt;-Clavilactone J and Its Quinone Derivative, Meroterpenoids from the Fungus &lt;i&gt;Resupinatus&lt;/i&gt; sp.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

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Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

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Text Reference Cues

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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.

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RFQ questions for CAS 152044-54-7

What are the key identifiers for Epothilone B (CAS 152044-54-7)?

Epothilone B is identified by CAS 152044-54-7, with molecular formula C27H41NO6S, molecular weight 507.7, InChIKey QXRSDHAAWVKZLJ-PVYNADRNSA-N.

Does CAS 152044-54-7 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Nuclear receptor subfamily 1 group I member 2, Nuclear receptor subfamily 1 group I member 2, Peripheral myelin protein 22, Protein deacetylase HDAC6. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 152044-54-7?

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

Can I request supplier SDS for Epothilone B?

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