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Screening compounds

Ombrabulin

Also known as ombrabulina, ombrabuline, (2S)-2-amino-3-hydroxy-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide

CAS 181816-48-8Formula C21H26N2O6Molar mass 402.45 g/mol
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Ombrabulin chemical structure, C21H26N2O6, CAS 181816-48-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
181816-48-8
Formula
C21H26N2O6
Molar mass
402.45 g/mol
HS code
292429
Category
Screening compounds

What is Ombrabulin?

Plain description, key identifiers and synonyms

Ombrabulin is a synthetic water-soluble analogue of combretastatin A4, derived from the South African willow bush (Combretum caffrum), with potential vascular-disrupting and antineoplastic activities. Ombrabulin binds to the colchicine binding site of endothelial cell tubulin, inhibiting tubulin polymerization and inducing mitotic arrest and apoptosis in endothelial cells. As apoptotic endothelial cells detach from their substrata, tumor blood vessels collapse, the acute disruption of tumor blood flow may result in tumor necrosis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-amino-3-hydroxy-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
CAS number
181816-48-8 CAS number cross-checkedOther or deprecated CAS: 253426-24-3
Molecular formula
C21H26N2O6
UNII
82JB1524Q6
InChIKey
IXWNTLSTOZFSCM-YVACAVLKSA-N
InChI
InChI=1S/C21H26N2O6/c1-26-17-8-7-13(9-16(17)23-21(25)15(22)12-24)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3/h5-11,15,24H,12,22H2,1-4H3,(H,23,25)/b6-5-/t15-/m0/s1
Canonical SMILES
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(N)CO
Isomeric SMILES
COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)[C@H](CO)N

Synonyms

  • ombrabulina
  • ombrabuline
  • (2S)-2-amino-3-hydroxy-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
  • ombrabulinum
  • (2S)-2-amino-3-hydroxy-N-(2-methoxy-5-((Z)-2-(3,4,5-trimethoxyphenyl)ethenyl)phenyl)propanamide
  • Combretastatin A4 Analogue AVE8062
  • (2S)-2-amino-3-hydroxy-n-(2-methoxy-5-((1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl)phenyl)propanamide
  • (S,Z)-2-Amino-3-hydroxy-N-(2-methoxy-5-(3,4,5-trimethoxystyryl)phenyl)propanamide
  • Propanamide, 2-amino-3-hydroxy-N-[2-methoxy-5-[(1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-, (2S)-
  • N-{2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)vinyl]phenyl}-L-serinamide
  • N-{2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethen-1-yl]phenyl}-L-serinamide
  • (2S)-2-Amino-3-hydroxy-N-(2-methoxy-5-((1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl)phenyl(propanamide

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
402.45 g/molcalc.
Exact mass
402.1791 Dacalc.
LogP (octanol/water)
2.15calc.
Topological polar surface area
112.3 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
9calc.
Heavy atoms
29calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 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(=Cc1ccccc1)c1ccccc1

C(=Cc1ccccc1)c1ccccc1

2 rings, 14 atoms, the Stilbene ring system.

2,005 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Ombrabulin suppliers

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Where suppliers are based

1 supplier in 1 country

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Ombrabulin price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • pharmaceutical

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 Ombrabulin is traded under.

HS 2924.29Indicative HS code

Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$5.69B
−5.1% vs 2023, imports $5.8B
2019 to 2024
Top exporters
  1. China32.3%
  2. Switzerland * partner reported13.6%
  3. Norway * partner reported12.8%
Top importers
  1. United States15.9%
  2. Ireland15.8%
  3. Germany11.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Ombrabulin, based on the data on this page

What is Ombrabulin?

Ombrabulin is a synthetic water-soluble analogue of combretastatin A4, derived from the South African willow bush (Combretum caffrum), with potential vascular-disrupting and antineoplastic activities.

What is the CAS number of Ombrabulin?

The CAS registry number of Ombrabulin is 181816-48-8. Other or deprecated CAS numbers: 253426-24-3.

What is the molecular formula and weight of Ombrabulin?

The molecular formula of Ombrabulin is C21H26N2O6 and its molar mass is 402.45 g/mol.

What is Ombrabulin used for?

Known uses and roles of Ombrabulin include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent and pharmaceutical.

Is Ombrabulin hazardous?

No GHS hazard classification for Ombrabulin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Ombrabulin?

Ombrabulin is usually classified under HS code 292429 (Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ombrabulin?

CompoundList lists 1 supplier of Ombrabulin 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 Ombrabulin?

Suppliers quote Ombrabulin 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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