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CHEBI:149426 - 6-de(cyclopropylamino)-6-(2-methylazetidin-1-yl)abacavir

ChEBI IDCHEBI:149426
ChEBI Name6-de(cyclopropylamino)-6-(2-methylazetidin-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 -methylazetidin-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 Modified8 April 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC15H20N6O
Net Charge0
Average Mass300.366
Monoisotopic Mass300.16986
SMILESCC1CCN1c1nc(N)nc2c1ncn2[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C15H20N6O/c1-9-4-5-20(9)13-12-14(19-15(16)18-13)21(8-17-12)11-3-2-10(6-11)7-22/h2-3,8-11,22H,4-7H2,1H3,(H2,16,18,19)/t9?,10-,11+/m1/s1
InChIKeyOQWZETPYVIVWBB-ZOCYIJKUSA-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-(2-methylazetidin-1-yl)abacavir (CHEBI:149426) has functional parent abacavir (CHEBI:421707)
6-de(cyclopropylamino)-6-(2-methylazetidin-1-yl)abacavir (CHEBI:149426) has role antiviral agent (CHEBI:22587)
6-de(cyclopropylamino)-6-(2-methylazetidin-1-yl)abacavir (CHEBI:149426) is a 2,6-diaminopurines (CHEBI:38001)
IUPAC Name 
{(1S,4R)-4-[2-amino-6-(2-methylazetidin-1-yl)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol
Synonym  Source
(1S,4R)-4-[2-amino-6-(2-methyl-1-azetidinyl)-9H-purin-9-yl]-2-cyclopentene-1-methanolChEBI
Citations