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Merbarone

CAT: 0926-XDA53421-02Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-XDA53421-02Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
97534-21-9
MDL Number
MFCD00866337
Smiles
C1=CC=C (C=C1) NC (=O) C2C (=O) NC (=S) NC2=O
Molecular Formula
C11H9N3O3S
Molecular Weight
263.27 g/mol
Controlled
No

Chemical Information

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. Its mechanism of action appears to be a novel one, since merbarone does not intercalate DNA nor stabilize DNA-topoisomerase II cleavable complexes.

CAS Number97534-21-9
PubChem CID4990817
IUPAC Name4,6-dioxo-N-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide
Molecular FormulaC11H9N3O3S
Molecular Weight263.27
XLogP0.1
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity384
SMILES
C1=CC=C(C=C1)NC(=O)C2C(=O)NC(=S)NC2=O
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)
InChIKey
JARCFMKMOFFIGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Merbarone
CAS: 97534-21-9
CID: 4990817
Formula: C11H9N3O3S
MW: 263.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.27
XLogP30.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass263.03646233
Monoisotopic Mass263.03646233
Topological Polar Surface Area119 Ų
Heavy Atom Count18
Formal Charge0
Complexity384
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C01860-5mgMerbarone
HY-19024RMerbarone (Standard)

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