CHEBI:50231 - 4,4'-propane-1,3-diyldipiperazine-2,6-dione

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ChEBI Name 4,4'-propane-1,3-diyldipiperazine-2,6-dione
ChEBI ID CHEBI:50231
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H16N4O4
Net Charge 0
Average Mass 268.26930
Monoisotopic Mass 268.11716
InChI InChI=1S/C11H16N4O4/c16-8-4-14(5-9(17)12-8)2-1-3-15-6-10(18)13-11(19)7-15/h1-7H2,(H,12,16,17)(H,13,18,19)
InChIKey YLGQIXNQPPIMQK-UHFFFAOYSA-N
SMILES O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
A topoisomerase inhibitor that inhibits DNA topoisomerase (ATP-hydrolysing), EC 5.99.1.3 (also known as topoisomerase II and as DNA gyrase), which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands.
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ChEBI Ontology
Outgoing 4,4'-propane-1,3-diyldipiperazine-2,6-dione (CHEBI:50231) has role EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor (CHEBI:50750)
4,4'-propane-1,3-diyldipiperazine-2,6-dione (CHEBI:50231) is a N-alkylpiperazine (CHEBI:46845)
IUPAC Name
4,4'-propane-1,3-diyldipiperazine-2,6-dione
Synonym Source
ICRF-161 ChEBI
Registry Number Type Source
819231 Beilstein Registry Number Beilstein
Last Modified
18 May 2010