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CHEBI:149439 - 6-de(cyclopropylamino)-6-(isopropylamino)abacavir

ChEBI IDCHEBI:149439
ChEBI Name6-de(cyclopropylamino)-6-(isopropylamino)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-isopropoxyazetidin-1-yl group. Unlike several other synthesised abacavir analogues, it is completely deficient in T-cell reactivity with abacavir-responsive clones.
Last Modified9 April 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC14H20N6O
Net Charge0
Average Mass288.355
Monoisotopic Mass288.16986
SMILESCC(C)Nc1nc(N)nc2c1ncn2[C@H]1C=C[C@@H](CO)C1
InChIInChI=1S/C14H20N6O/c1-8(2)17-12-11-13(19-14(15)18-12)20(7-16-11)10-4-3-9(5-10)6-21/h3-4,7-10,21H,5-6H2,1-2H3,(H3,15,17,18,19)/t9-,10+/m1/s1
InChIKeySXFIIZFCBYLDQT-ZJUUUORDSA-N
ChEBI Ontology
Outgoing Relation(s)
6-de(cyclopropylamino)-6-(isopropylamino)abacavir (CHEBI:149439) has functional parent abacavir (CHEBI:421707)
6-de(cyclopropylamino)-6-(isopropylamino)abacavir (CHEBI:149439) is a 2,6-diaminopurines (CHEBI:38001)
IUPAC Name 
[(1S,4R)-4-{2-amino-6-[(propan-2-yl)amino]-9H-purin-9-yl}cyclopent-2-en-1-yl]methanol
Synonyms  Source
(1S,4R)-4-[2-amino-6-[(1-methylethyl)amino]-9H-purin-9-yl]-2-cyclopentene-1-methanolChEBI
{(1S,4R)-4-[2-amino-6-(isopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanolIUPAC
Citations