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Heterocyclic building blocks

Dinophysistoxin 2

Also known as Dinophysistoxin-2, Acanthifolicin, 9,10-deepithio-9,10-didehydro-31-demethyl-35-methyl-, (35R)-, DTX 2

CAS 139933-46-3Formula C44H68O13Molar mass 805.02 g/molEC 808-595-6
GHS signal word: Warning. Pictograms: Harmful or irritant 1 supplier listed
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Dinophysistoxin 2 chemical structure, C44H68O13, CAS 139933-46-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
139933-46-3
Formula
C44H68O13
Molar mass
805.02 g/mol
EC number
808-595-6
HS code
293219
Category
Heterocyclic building blocks

What is Dinophysistoxin 2?

Plain description, key identifiers and synonyms

Dinophysistoxin 2 is a ketal that is a rare marine toxin structurally related to okadaic acid. Found yearly along with okadaic acid in Portuguese shellfish, its presence has been correlated with the occurrence of Dinophysis acta. It has a role as a toxin and an EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor. It is functionally related to an okadaic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,6R,11R)-11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid
CAS number
139933-46-3 CAS number cross-checked
EC number
808-595-6
Molecular formula
C44H68O13
UNII
RH78DHY1JZ
InChIKey
BRFKTXCAUCYQBT-KIXJXINUSA-N
InChI
InChI=1S/C44H68O13/c1-25-21-35(56-44(23-25)36(46)14-13-31(54-44)24-41(6,50)40(48)49)26(2)11-12-30-15-18-42(53-30)19-16-34-39(57-42)37(47)29(5)38(52-34)32(45)22-27(3)33-10-7-17-43(55-33)28(4)9-8-20-51-43/h11-12,23,26-28,30-39,45-47,50H,5,7-10,13-22,24H2,1-4,6H3,(H,48,49)/b12-11+/t26-,27+,28-,30+,31+,32+,33+,34-,35+,36-,37-,38+,39-,41-,42-,43-,44-/m1/s1
Canonical SMILES
C=C1C(O)C2OC3(CCC(C=CC(C)C4CC(C)=CC5(OC(CC(C)(O)C(=O)O)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1CCCC2(OCCCC2C)O1
Isomeric SMILES
C[C@@H]1CCCO[C@@]12CCC[C@H](O2)[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O

Synonyms

  • Dinophysistoxin-2
  • Acanthifolicin, 9,10-deepithio-9,10-didehydro-31-demethyl-35-methyl-, (35R)-
  • DTX 2
  • (35R)-9,45-Seco-10-demercapto-9,10-didehydro-35-methyl-39-noracanthifolicin

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
805.02 g/molcalc.
Exact mass
804.466 Dacalc.
LogP (octanol/water)
5.21calc.
Topological polar surface area
182.8 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
10calc.
Heavy atoms
57calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.84calc.
Formal charge
0calc.
Stereocentres
17calc.
Lipinski rule of five
Fails (3 violations)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, C=C1CC2OC3(CCC(C=CCC4CC=CC5(CCCCO5)O4)O3)CCC2OC1CCCC1CCCC2(CCCCO2)O1

C=C1CC2OC3(CCC(C=CCC4CC=CC5(CCCCO5)O4)O3)CCC2OC1CCCC1CCCC2(CCCCO2)O1

7 rings, 43 atoms.

20 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • 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

Dinophysistoxin 2 suppliers

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Where suppliers are based

1 supplier in 1 country

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Dinophysistoxin 2 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

Roles

  • enzyme inhibitor
  • metabolite
  • poison
  • toxin

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 Dinophysistoxin 2 is traded under.

HS 2932.19Indicative HS code

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

World exports in 2024
$2.62B
−6.4% vs 2023, imports $2.56B
2019 to 2024
Top exporters
  1. Germany57.9%
  2. Italy11.5%
  3. China10.4%
Top importers
  1. Greece40.4%
  2. Japan16.3%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Dinophysistoxin 2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Dinophysistoxin 2, based on the data on this page

What is Dinophysistoxin 2?

Dinophysistoxin 2 is a ketal that is a rare marine toxin structurally related to okadaic acid. Found yearly along with okadaic acid in Portuguese shellfish, its presence has been correlated with the occurrence of Dinophysis acta. It has a role as a toxin and an EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor.

What is the CAS number of Dinophysistoxin 2?

The CAS registry number of Dinophysistoxin 2 is 139933-46-3.

What is the molecular formula and weight of Dinophysistoxin 2?

The molecular formula of Dinophysistoxin 2 is C44H68O13 and its molar mass is 805.02 g/mol.

What is Dinophysistoxin 2 used for?

Known uses and roles of Dinophysistoxin 2 include building blocks in research and laboratory, enzyme inhibitor, metabolite, poison and toxin.

Is Dinophysistoxin 2 hazardous?

Dinophysistoxin 2 carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Dinophysistoxin 2?

Dinophysistoxin 2 is usually classified under HS code 293219 (Compounds containing an unfused furan ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dinophysistoxin 2?

CompoundList lists 1 supplier of Dinophysistoxin 2 in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Dinophysistoxin 2?

Suppliers quote Dinophysistoxin 2 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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