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

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ChEBI Name 6-de(cyclopropylamino)-6-(isopropylamino)abacavir ChEBI ID CHEBI:149439 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H20N6O Net Charge 0 Average Mass 288.355 Monoisotopic Mass 288.16986 InChI InChI=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 InChIKey SXFIIZFCBYLDQT-ZJUUUORDSA-N SMILES [C@H]1(C=C[C@@H](C1)N2C=3C(N=C2)=C(N=C(N3)N)NC(C)C)CO ChEBI Ontology Outgoing 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 Sources (1S,4R)-4-[2-amino-6-[(1-methylethyl)amino]-9H-purin-9-yl]-2-cyclopentene-1-methanol ChEBI {(1S,4R)-4-[2-amino-6-(isopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol IUPAC Citations Types Sources 26372480 PubMed citation Europe PMC 31549414 PubMed citation Europe PMC Last Modified 09 April 2020