CHEBI:63487 - 1,3,6,8-tetraazatricyclo[6.2.1.13,6]dodecane

ChEBI IDCHEBI:63487
ChEBI Name1,3,6,8-tetraazatricyclo[6.2.1.13,6]dodecane
Stars
ASCII Name1,3,6,8-tetraazatricyclo[6.2.1.1(3,6)]dodecane
DefinitionAn azatricycloalkane that is tricyclo[6.2.1.13,6]dodecane in which the four bridgehead CH groups are replaced by nitrogen atoms. It is a small-molecule BAX agonist.
Last Modified13 May 2021
SubmitterSteve
DownloadsMolfile
FormulaC8H16N4
Net Charge0
Average Mass168.244
Monoisotopic Mass168.13750
SMILESC1CN2CN1CN1CCN(C1)C2
InChIInChI=1S/C8H16N4/c1-2-10-5-9(1)7-11-3-4-12(6-11)8-10/h1-8H2
InChIKeyZBFHXDNNFOOFLY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
1,3,6,8-tetraazatricyclo[6.2.1.13,6]dodecane (CHEBI:63487) has role antineoplastic agent (CHEBI:35610)
1,3,6,8-tetraazatricyclo[6.2.1.13,6]dodecane (CHEBI:63487) has role apoptosis inducer (CHEBI:68495)
1,3,6,8-tetraazatricyclo[6.2.1.13,6]dodecane (CHEBI:63487) is a azatricycloalkane (CHEBI:63489)
1,3,6,8-tetraazatricyclo[6.2.1.13,6]dodecane (CHEBI:63487) is a bridged compound (CHEBI:35990)
1,3,6,8-tetraazatricyclo[6.2.1.13,6]dodecane (CHEBI:63487) is a tetramine (CHEBI:39166)
IUPAC Name 
1,3,6,8-tetraazatricyclo[6.2.1.13,6]dodecane
Synonyms  Source
1,3,6,8-tetraazatricyclo[6.2.1.13,6]dodecaneChemIDplus
1,3,6,8-tetraazatricyclo[6.2.1.1(3,6)]dodecaneChEBI
SMBA2ChEBI
1,3,6,8-diendomethylene-1,3,6,8-tetraazacyclodecaneChEBI
NSC 4436ChemIDplus
Brand Name  Source
DimtacChEBI
Manual XrefsDatabases
EP3289011Patent
79001ChemSpider
Registry NumbersSources
Reaxys:606681Reaxys
CAS:281-86-7ChemIDplus
CAS:18304-79-5ChemIDplus
Citations