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

ChEBI IDCHEBI:50231
ChEBI Name4,4'-propane-1,3-diyldipiperazine-2,6-dione
Stars
Last Modified18 May 2010
SubmitterInma Spiteri
DownloadsMolfile
FormulaC11H16N4O4
Net Charge0
Average Mass268.273
Monoisotopic Mass268.11715
SMILESO=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1
InChIInChI=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)
InChIKeyYLGQIXNQPPIMQK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
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-161ChEBI
Registry NumbersSources
Beilstein:819231Beilstein