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Screening compounds

Epothilone B

Also known as Patupilone, (-)-Epothilone B, Epo B

CAS 152044-54-7Formula C27H41NO6SMolar mass 507.69 g/molEC 604-822-6
GHS signal word: Danger. Pictograms: Corrosive, Acute toxicity (severe), Harmful or irritant, Serious health hazard 20 suppliers listed
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Epothilone B chemical structure, C27H41NO6S, CAS 152044-54-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
152044-54-7
Formula
C27H41NO6S
Molar mass
507.69 g/mol
EC number
604-822-6
HS code
293410
Category
Screening compounds

What is Epothilone B?

Plain description, key identifiers and synonyms

Epothilone B is an epithilone that is epithilone D in which the double bond in the macrocyclic ring has been oxidised to the corresponding epoxide (the S,S stereoisomer). It has a role as an antineoplastic agent, a microtubule-stabilising agent and an apoptosis inducer. It is an epoxide and an epothilone.

Identifiers

Registry numbers, names and line notations, tap to copy

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
CAS number
152044-54-7 CAS number cross-checked
EC number
604-822-6
Molecular formula
C27H41NO6S
UNII
UEC0H0URSE
MDL number
MFCD02101921
InChIKey
QXRSDHAAWVKZLJ-PVYNADRNSA-N
InChI
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
Canonical SMILES
CC(=Cc1csc(C)n1)C1CC2OC2(C)CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)O1
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

Synonyms

  • Patupilone
  • (-)-Epothilone B
  • Epo B
  • Epothilon B
  • EPO 906
  • patupilona
  • Epithilone b
  • EPO 906A
  • patupilonum
  • Patupilone (Epothilone B)
  • (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-dione
  • Epothilone 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
  • Epothilone-B
  • EpoB
  • Epothilone B,
  • Epothilone B?
  • Epothilone B(Patupilone)
  • (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)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
  • (-)-Epothilone B, from Sorangium cellulosum, >=98% (HPLC)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
507.69 g/molcalc.
Exact mass
507.2655 Dacalc.
LogP (octanol/water)
4.48calc.
Topological polar surface area
109.3 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
2calc.
Heavy atoms
35calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.74calc.
Formal charge
0calc.
Stereocentres
7calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CCCCCCC2OC2CC(C=Cc2cscn2)OC(=O)CCC1

O=C1CCCCCCC2OC2CC(C=Cc2cscn2)OC(=O)CCC1

3 rings, 26 atoms.

10 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H300Fatal if swallowed.
  • H301Toxic if swallowed.
  • H310Fatal in contact with skin.
  • H315Causes skin irritation.
  • H317May cause an allergic skin reaction.
  • H318Causes serious eye damage.
  • H335May cause respiratory irritation.
  • H341Suspected of causing genetic defects.
  • H360May damage fertility or the unborn child.
  • H361Suspected of damaging fertility or the unborn child.
  • H372Causes damage to organs through prolonged or repeated exposure.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (29)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P317Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Epothilone B suppliers

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Where suppliers are based

20 suppliers in 7 countries

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Epothilone B price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Antineoplastic Agents
  • Tubulin Modulators

Roles

  • antineoplastic agent
  • apoptosis inducer
  • microtubule-stabilising agent
  • pharmaceutical
  • tubulin modulator

Pharmacology

Patupilone is a compound isolated from the myxobacterium Sorangium cellulosum. Similar to paclitaxel, patupilone induces microtubule polymerization and stabilizes microtubules against depolymerization conditions. In addition to promoting tubulin polymerization and stabilization of microtubules, this agent is cytotoxic for cells overexpressing P-glycoprotein, a characteristic that distinguishes it from the taxanes. Patupilone may cause complete cell-cycle arrest.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Epothilone B is traded under.

HS 2934.10Indicative HS code

Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…

World exports in 2024
$3.88B
−16.1% vs 2023, imports $3.12B
2019 to 2024
Top exporters
  1. Switzerland * partner reported36.4%
  2. Ireland28.8%
  3. China10.0%
Top importers
  1. Canada33.4%
  2. United States14.4%
  3. Ireland13.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Epothilone B is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Epothilone B, based on the data on this page

What is Epothilone B?

Epothilone B is an epithilone that is epithilone D in which the double bond in the macrocyclic ring has been oxidised to the corresponding epoxide (the S,S stereoisomer). It has a role as an antineoplastic agent, a microtubule-stabilising agent and an apoptosis inducer. It is an epoxide and an epothilone.

What is the CAS number of Epothilone B?

The CAS registry number of Epothilone B is 152044-54-7.

What is the molecular formula and weight of Epothilone B?

The molecular formula of Epothilone B is C27H41NO6S and its molar mass is 507.69 g/mol.

What is Epothilone B used for?

Known uses and roles of Epothilone B include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent, apoptosis inducer, microtubule-stabilising agent and 4 more.

Is Epothilone B hazardous?

Epothilone B carries the GHS signal word "Danger". Main hazards: fatal if swallowed, toxic if swallowed, fatal in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Epothilone B?

Epothilone B is usually classified under HS code 293410 (Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Epothilone B?

CompoundList lists 20 suppliers of Epothilone B in China, United States, Australia, Germany and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Epothilone B?

Suppliers quote Epothilone B on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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