patupilone (Q27093987)

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chemical compound

EPO906
(−)-epothilone B
Epo B
Patupilone
EpoB
EPO 906
(-)-epothilone B
epothilone B

Language	Label	Description	Also known as
English	patupilone	chemical compound	EPO906 (−)-epothilone B Epo B Patupilone EpoB EPO 906 (-)-epothilone B epothilone B

Statements

type of chemical entity

0 references

0 references

(1S,3S,7S,10R,11S,12S)-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

1 reference

based on heuristic

inferred from SMILES

chemical structure

Patupilone.svg
870 × 425; 21 KB

0 references

507.265±0 dalton

1 reference

language of work or name

Epothilone B (English)

19 October 2016

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChIKey

(1S,3S,7S,10R,11R,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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₁NO₆S

1 reference

language of work or name

Epothilone B (English)

19 November 2016

canonical SMILES

CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C

1 reference

language of work or name

Epothilone B (English)

19 November 2016

isomeric SMILES

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

1 reference

language of work or name

Epothilone B (English)

19 November 2016

World Health Organisation international non-proprietary name

patupilone (English)

2 references

language of work or name

epothilone B (English)

19 October 2016

Recommended INN: List 51

publication date

2004

Sorangium cellulosum

9 references

Isolation and characterization of the epothilone biosynthetic gene cluster from Sorangium cellulosum

The biosynthetic gene cluster for the microtubule-stabilizing agents epothilones A and B from Sorangium cellulosum So ce90

Characteristics and activity analysis of epothilone operon promoters from Sorangium cellulosum strains in Escherichia coli.

New natural epothilones from Sorangium cellulosum, strains So ce90/B2 and So ce90/D13: isolation, structure elucidation, and SAR studies

Epothilons A and B: antifungal and cytotoxic compounds from Sorangium cellulosum (Myxobacteria). Production, physico-chemical and biological properties

Epothilone A and B—Novel 16-Membered Macrolides with Cytotoxic Activity: Isolation, Crystal Structure, and Conformation in Solution

Epothilons A and B: antifungal and cytotoxic compounds from Sorangium cellulosum (Myxobacteria). Production, physico-chemical and biological properties

Epothilons A and B: antifungal and cytotoxic compounds from Sorangium cellulosum (Myxobacteria). Production, physico-chemical and biological properties

New natural epothilones from Sorangium cellulosum, strains So ce90/B2 and So ce90/D13: isolation, structure elucidation, and SAR studies

Sporormiella similis

1 reference

Preussilides A-F, Bicyclic Polyketides from the Endophytic Fungus Preussia similis with Antiproliferative Activity.

Sparticola junci

1 reference

Sparticolins A-G, Biologically Active Oxidized Spirodioxynaphthalene Derivatives from the Ascomycete Sparticola junci

1 reference

Microporenic Acids A-G, Biofilm Inhibitors, and Antimicrobial Agents from the Basidiomycete Microporus Species.

1 reference

Kenalactams A-E, Polyene Macrolactams Isolated from Nocardiopsis CG3

1 reference

New natural epothilones from Sorangium cellulosum, strains So ce90/B2 and So ce90/D13: isolation, structure elucidation, and SAR studies

physically interacts with

Tubulin alpha 1c

subject has role

1 reference

Open Targets Platform

14 August 2023

https://platform.opentargets.org/drug/CHEMBL94657

Tubulin beta 2B class IIb

subject has role

1 reference

Open Targets Platform

14 August 2023

https://platform.opentargets.org/drug/CHEMBL94657

Tubulin alpha 1b

subject has role

1 reference

Open Targets Platform

14 August 2023

https://platform.opentargets.org/drug/CHEMBL94657

Tubulin alpha 3e

subject has role

1 reference

Open Targets Platform

14 August 2023

https://platform.opentargets.org/drug/CHEMBL94657

Tubulin beta 2A class IIa

subject has role

1 reference

Open Targets Platform

14 August 2023

https://platform.opentargets.org/drug/CHEMBL94657

Tubulin alpha 1a

subject has role

1 reference

Open Targets Platform

14 August 2023

https://platform.opentargets.org/drug/CHEMBL94657

Tubulin beta 6 class V

subject has role

1 reference

Open Targets Platform

14 August 2023

https://platform.opentargets.org/drug/CHEMBL94657

Tubulin beta 4B class IVb

subject has role

1 reference

Open Targets Platform

14 August 2023

https://platform.opentargets.org/drug/CHEMBL94657

Tubulin beta 1 class VI

subject has role

1 reference

Open Targets Platform

14 August 2023

https://platform.opentargets.org/drug/CHEMBL94657

Tubulin beta 8 class VIII

subject has role

1 reference

Open Targets Platform

14 August 2023

https://platform.opentargets.org/drug/CHEMBL94657

subject has role

tubulin modulators

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

Identifiers

InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11 /t15-,17 ,20-,21-,22-,24-,27 /m0/s1

1 reference

language of work or name

Epothilone B (English)

19 November 2016

QXRSDHAAWVKZLJ-PVYNADRNSA-N

2 references

language of work or name

Epothilone B (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

patupilone (English)

19 November 2016

QXRSDHAAWVKZLJ-PVYNADRNSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=152044-54-7

1 reference

language of work or name

(−)-Epothilone B (English)

19 November 2016

2 references

language of work or name

Epothilone B (English)

19 November 2016

matched by identifier from

QXRSDHAAWVKZLJ-PVYNADRNSA-N

Reaxys registry number

7556514

1 reference

language of work or name

epothilone B (English)

19 October 2016

mapping relation type

2 references

language of work or name

PATUPILONE (English)

19 November 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11 /t15-,17 ,20-,21-,22-,24-,27 /m0/s1

1 reference

language of work or name

PATUPILONE (English)

19 November 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

QXRSDHAAWVKZLJ-PVYNADRNSA-N

UniChem compound ID

1 reference

DSSTox substance ID

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

QXRSDHAAWVKZLJ-PVYNADRNSA-N

DSSTOX compound identifier

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

(1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-methyl-2-(2-methylthiazol-4-yl)ethenyl]- 4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione (English)

CAS no.: 152044-54-7 (English)

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

(1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-methyl-2-(2-methylthiazol-4-yl)ethenyl]- 4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione (English)

CAS no.: 152044-54-7 (English)

World Health Organisation international non-proprietary name numeric ID

1 reference

https://mednet-communities.net/inn/db/ViewINN.aspx?i=8320

MeSH descriptor ID

subject named as

epothilone B

1 reference

Medical Subject Headings

MeSH descriptor ID

14 March 2018

1 reference

matched by identifier from

QXRSDHAAWVKZLJ-PVYNADRNSA-N

1 reference

language of work or name

epothilone B (English)

19 October 2016

2 references

Global Substance Registration System

language of work or name

patupilone (English)

19 November 2016

matched by identifier from

QXRSDHAAWVKZLJ-PVYNADRNSA-N

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

QXRSDHAAWVKZLJ-PVYNADRNSA-N

Probes And Drugs ID

0 references

1 reference

language of work or name

epothilone B (English)

19 October 2016

0 references

0 references

PDB structure ID

1 reference

Protein Data Bank

PDB structure ID

language of work or name

1Q5D (English)

19 October 2016

1 reference

based on heuristic

inferred by common MeSH mappings on source and on Wikidata

25 May 2023

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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