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Heterocyclic building blocks

Merbarone

Also known as 5-(N-Phenylcarboxamido)-2-thiobarbituric acid, 5-Pyrimidinecarboxamide, hexahydro-4,6-dioxo-N-phenyl-2-thioxo-, 4,6-dioxo-N-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide

CAS 97534-21-9Formula C11H9N3O3SMolar mass 263.28 g/mol
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Merbarone chemical structure, C11H9N3O3S, CAS 97534-21-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
97534-21-9
Formula
C11H9N3O3S
Molar mass
263.28 g/mol
Solubility
H2O < 0.1 (mg/mL)
HS code
293359
Category
Heterocyclic building blocks

What is Merbarone?

Plain description, key identifiers and synonyms

Merbarone is a nonsedating derivative of thiobarbituric acid and a novel catalytic topoisomerase II inhibitor with antineoplastic activity. Merbarone interferes with DNA replication via binding directly to topoisomerase II at a domain that maybe shared by other topoisomerase II cleavage-enhancing agents, ex., etoposide. Its mechanism of action appears to be a novel one, since merbarone does not intercalate DNA nor stabilize DNA-topoisomerase II cleavable complexes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4,6-dioxo-N-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide
CAS number
97534-21-9 CAS number cross-checked
Molecular formula
C11H9N3O3S
UNII
YWB9IF596V
MDL number
MFCD00866337
InChIKey
JARCFMKMOFFIGZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H9N3O3S/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5,7H,(H,12,15)(H2,13,14,16,17,18)
SMILES (canonical and isomeric)
C1=CC=C(C=C1)NC(=O)C2C(=O)NC(=S)NC2=O

Synonyms

  • 5-(N-Phenylcarboxamido)-2-thiobarbituric acid
  • 5-Pyrimidinecarboxamide, hexahydro-4,6-dioxo-N-phenyl-2-thioxo-
  • 4,6-dioxo-N-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide
  • 4,6-dioxo-N-phenyl-2-thioxohexahydropyrimidine-5-carboxamide
  • US9428466, Merbarone
  • Hexahydro-4,6-dioxo-N-phenyl-2-thioxo-5-pyrimidinecarboxamide
  • HSCI1_000067
  • Merbarone, >=98% (HPLC), solid
  • 4,6-dioxo-N-phenyl-2-sulfanyl-1H-pyrimidine-5-carboxamide

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

Solubility
H2O < 0.1 (mg/mL)exp.

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
263.28 g/molcalc.
Exact mass
263.0365 Dacalc.
LogP (octanol/water)
-0.23calc.
Topological polar surface area
87.3 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.09calc.
Formal charge
0calc.
Stereocentres
0calc.
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, O=C1NC(=S)NC(=O)C1C(=O)Nc1ccccc1

O=C1NC(=S)NC(=O)C1C(=O)Nc1ccccc1

2 rings, 18 atoms. This chemical is the scaffold itself.

No other chemical in our database has 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.

Merbarone suppliers

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Merbarone price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Topoisomerase II Inhibitors

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 Merbarone is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Merbarone?

Merbarone is a nonsedating derivative of thiobarbituric acid and a novel catalytic topoisomerase II inhibitor with antineoplastic activity. Merbarone interferes with DNA replication via binding directly to topoisomerase II at a domain that maybe shared by other topoisomerase II cleavage-enhancing agents, ex., etoposide.

What is the CAS number of Merbarone?

The CAS registry number of Merbarone is 97534-21-9.

What is the molecular formula and weight of Merbarone?

The molecular formula of Merbarone is C11H9N3O3S and its molar mass is 263.28 g/mol.

What is Merbarone used for?

Known uses and roles of Merbarone include building blocks in research and laboratory, screening compounds in research and laboratory and topoisomerase ii inhibitors.

Is Merbarone hazardous?

No GHS hazard classification for Merbarone 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 Merbarone?

Merbarone is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Merbarone?

Post a free request on CompoundList and suppliers of Merbarone will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Merbarone?

Suppliers quote Merbarone 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

Practical guides that help when you source, ship or handle Merbarone

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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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