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CHEBI:149437 - 6-de(cyclopropylamino)-6-(isobutylamino)abacavir

ChEBI IDCHEBI:149437
ChEBI Name6-de(cyclopropylamino)-6-(isobutylamino)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 an isobutylamino 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
FormulaC15H22N6O
Net Charge0
Average Mass302.382
Monoisotopic Mass302.18551
SMILESCC(C)CNc1nc(N)nc2c1ncn2[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C15H22N6O/c1-9(2)6-17-13-12-14(20-15(16)19-13)21(8-18-12)11-4-3-10(5-11)7-22/h3-4,8-11,22H,5-7H2,1-2H3,(H3,16,17,19,20)/t10-,11+/m1/s1
InChIKeyUHZARYILKCVWLR-MNOVXSKESA-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-(isobutylamino)abacavir (CHEBI:149437) has functional parent abacavir (CHEBI:421707)
6-de(cyclopropylamino)-6-(isobutylamino)abacavir (CHEBI:149437) has role antiviral agent (CHEBI:22587)
6-de(cyclopropylamino)-6-(isobutylamino)abacavir (CHEBI:149437) is a 2,6-diaminopurines (CHEBI:38001)
IUPAC Name 
[(1S,4R)-4-{2-amino-6-[(2-methylpropyl)amino]-9H-purin-9-yl}cyclopent-2-en-1-yl]methanol
Synonyms  Source
{(1S,4R)-4-[2-amino-6-(isobutylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanolIUPAC
(1S,4R)-4-[2-amino-6-[(2-methylpropyl)amino]-9H-purin-9-yl]-2-cyclopentene-1-methanolChEBI
Citations