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CHEBI:149435 - 6-de(cyclopropylamino)-6-(3-methoxyazetidin-1-yl)abacavir

ChEBI IDCHEBI:149435
ChEBI Name6-de(cyclopropylamino)-6-(3-methoxyazetidin-1-yl)abacavir
Stars
DefinitionA 2,6-diaminopurine that is an analogue of abacavir in which the cyclopropylamino group at position 6 of the purine moiety is replaced by a 3-methoxyazetidin-1-yl group. One of a series of synthesised abacavir analogues with antiviral activity found to stimulate IFN-γ secretion in abacavir-responsive clones.
Last Modified9 April 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC15H20N6O2
Net Charge0
Average Mass316.365
Monoisotopic Mass316.16477
SMILESCOC1CN(c2nc(N)nc3c2ncn3[C@H]2C=C[C@@H](CO)C2)C1
InChIInChI=1S/C15H20N6O2/c1-23-11-5-20(6-11)13-12-14(19-15(16)18-13)21(8-17-12)10-3-2-9(4-10)7-22/h2-3,8-11,22H,4-7H2,1H3,(H2,16,18,19)/t9-,10+/m1/s1
InChIKeyMXGYFZAWHDLLFI-ZJUUUORDSA-N
Roles Classification
Biological Role:
antiviral agent  A substance that destroys or inhibits replication of viruses.
ChEBI Ontology
Outgoing Relation(s)
6-de(cyclopropylamino)-6-(3-methoxyazetidin-1-yl)abacavir (CHEBI:149435) has functional parent abacavir (CHEBI:421707)
6-de(cyclopropylamino)-6-(3-methoxyazetidin-1-yl)abacavir (CHEBI:149435) has role antiviral agent (CHEBI:22587)
6-de(cyclopropylamino)-6-(3-methoxyazetidin-1-yl)abacavir (CHEBI:149435) is a 2,6-diaminopurines (CHEBI:38001)
IUPAC Name 
{(1S,4R)-4-[2-amino-6-(3-methoxyazetidin-1-yl)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol
Synonym  Source
(1S,4R)-4-[2-amino-6-(3-methoxy-1-azetidinyl)-9H-purin-9-yl]-2-cyclopentene-1-methanolChEBI
Citations