CHEBI:142838 - (R)-DRF053

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (R)-DRF053
ChEBI ID CHEBI:142838
ChEBI ASCII Name (R)-DRF053
Definition A member of the class of 2,6-diaminopurines that is 2,6-diamiopurine which is substituted by an isopropyl group at position 9 and in which the amino groups at positions 2 and 6 are substituted by a 1-hydroxybutan-2-yl and 3-(pyridin-2-yl)phenyl groups, respectively (the R enantiomer). A cyclin dependent kinase inhibitor, widely used as its hydrochloride hydrate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H27N7O
Net Charge 0
Average Mass 417.508
Monoisotopic Mass 417.22771
InChI InChI=1S/C23H27N7O/c1-4-17(13-31)27-23-28-21(20-22(29-23)30(14-25-20)15(2)3)26-18-9-7-8-16(12-18)19-10-5-6-11-24-19/h5-12,14-15,17,31H,4,13H2,1-3H3,(H2,26,27,28,29)/t17-/m1/s1
InChIKey LWANFAFTTOKZAX-QGZVFWFLSA-N
SMILES OC[C@H](NC1=NC=2N(C=NC2C(=N1)NC3=CC(C4=NC=CC=C4)=CC=C3)C(C)C)CC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (R)-DRF053 (CHEBI:142838) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
(R)-DRF053 (CHEBI:142838) is a 2,6-diaminopurines (CHEBI:38001)
(R)-DRF053 (CHEBI:142838) is a phenylpyridine (CHEBI:38193)
(R)-DRF053 (CHEBI:142838) is a primary alcohol (CHEBI:15734)
(R)-DRF053 (CHEBI:142838) is a secondary amino compound (CHEBI:50995)
Incoming (R)-DRF053 hydrochloride hydrate (CHEBI:142835) has part (R)-DRF053 (CHEBI:142838)
IUPAC Name
(2R)-2-({9-isopropyl-6-[3-(pyridin-2-yl)anilino]-9H-purin-2-yl}amino)butan-1-ol
Citations Waiting for Citations Types Sources
22415086 PubMed citation Europe PMC
28986398 PubMed citation Europe PMC
Last Modified
04 January 2019