ChEBI

CHEBI:90530 - 9-cyclopentyl-N⁸-(2-fluorophenyl)-N²-(4-methoxyphenyl)-9H-purine-2,8-diamine

ChEBI Name 9-cyclopentyl-N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)-9H-purine-2,8-diamine ChEBI ID CHEBI:90530 ChEBI ASCII Name 9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine Definition A member of the class of purines that is carrying 9-cyclopentyl-9H-purine-2,8-diamine in which the amino groups at positions 2 and 8 are carrying 4-methoxyphenyl and 2-fluorophenyl substituents respectively. Stars This entity has been manually annotated by the ChEBI Team. Submitter Matthias Ziehm 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 C23H23FN6O Net Charge 0 Average Mass 418.468 Monoisotopic Mass 418.19174 InChI InChI=1S/C23H23FN6O/c1-31-17-12-10-15(11-13-17)26-22-25-14-20-21(29-22)30(16-6-2-3-7-16)23(28-20)27-19-9-5-4-8-18(19)24/h4-5,8-14,16H,2-3,6-7H2,1H3,(H,27,28)(H,25,26,29) InChIKey IMFVPVKPQOQCBY-UHFFFAOYSA-N SMILES C=1(F)C=CC=CC1NC2=NC3=C(N=C(N=C3)NC4=CC=C(C=C4)OC)N2C5CCCC5 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): c-Jun N-terminal kinase inhibitor An EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor that inhibits the action of c-Jun N-terminal kinase. View more via ChEBI Ontology ChEBI Ontology Outgoing 9-cyclopentyl-N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)-9H-purine-2,8-diamine (CHEBI:90530) has role c-Jun N-terminal kinase inhibitor (CHEBI:90172) 9-cyclopentyl-N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)-9H-purine-2,8-diamine (CHEBI:90530) is a cyclopentanes (CHEBI:23493) 9-cyclopentyl-N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)-9H-purine-2,8-diamine (CHEBI:90530) is a monofluorobenzenes (CHEBI:83575) 9-cyclopentyl-N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)-9H-purine-2,8-diamine (CHEBI:90530) is a monomethoxybenzene (CHEBI:25235) 9-cyclopentyl-N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)-9H-purine-2,8-diamine (CHEBI:90530) is a purines (CHEBI:26401) 9-cyclopentyl-N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)-9H-purine-2,8-diamine (CHEBI:90530) is a secondary amino compound (CHEBI:50995) 9-cyclopentyl-N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)-9H-purine-2,8-diamine (CHEBI:90530) is a substituted aniline (CHEBI:48975) IUPAC Name 9-cyclopentyl-N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)-9H-purine-2,8-diamine Manual Xref Database JBI PDBeChem View more database links Registry Number Type Source 12671863 Reaxys Registry Number Reaxys Citation Type Source 22226655 PubMed citation Europe PMC Last Modified 08 July 2016