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CHEBI:231696 - Pac-1

Default Structure
ChEBI IDCHEBI:231696
ChEBI NamePac-1
Stars
DefinitionProcaspase Activating Compound-1 VO-100 is an orally bioavailable procaspase activating compound-1 (PAC-1), with potential proapoptotic and antineoplastic activities. Upon administration, VO-100 binds to and forms a chelating complex with zinc (Zn) ions inside cells, which prevents the binding of Zn ions to procaspase-3 (PC3) and abrogates the Zn-mediated inhibition of PC3. This allows for the proteolytic autoactivation of PC3 into the active form caspase-3. This results in the selective caspase-3-mediated induction of apoptosis and cell death in cancer cells. In addition, VO-100 is able to cross the blood-brain-barrier (BBB). PC3, a Zn-inhibited proenzyme, is upregulated in a variety of cancer cell types, while its expression is minimal in normal healthy cells.
Submitterruixy
DownloadsMolfile
FormulaC23H28N4O2
Net Charge0
Average Mass392.503
Monoisotopic Mass392.22123
SMILES[H]/C(=N\N=C(/O)CN1CCN(Cc2ccccc2)CC1)c1cccc(CC=C)c1O
InChIInChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+
InChIKeyYQNRVGJCPCNMKT-LFVJCYFKSA-N
ChEBI Ontology
Outgoing Relation(s)
Pac-1 (CHEBI:231696) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
PAC 1SUBMITTER
PAC1SUBMITTER
Procaspase-3 ActivatorSUBMITTER
Procaspase activating compound 1SUBMITTER
Registry NumbersSources
CAS:315183-21-2SUBMITTER