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CHEBI:90304 - TG101209

ChEBI IDCHEBI:90304
ChEBI NameTG101209
Stars
DefinitionA member of the class of pyrimidines that is 5-methylpyrimidine-2,4-diamine in which the amino group at position 2 is substituted by a p-(4-methylpiperazin-1-yl)phenyl group, while that at position 4 is substituted by a m-(tert-butylsulfamoyl)phenyl group. A Janus kinase 2 (JAK2) inhibitor.
Last Modified10 November 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC26H35N7O2S
Net Charge0
Average Mass509.680
Monoisotopic Mass509.25729
SMILESCc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C26H35N7O2S/c1-19-18-27-25(29-20-9-11-22(12-10-20)33-15-13-32(5)14-16-33)30-24(19)28-21-7-6-8-23(17-21)36(34,35)31-26(2,3)4/h6-12,17-18,31H,13-16H2,1-5H3,(H2,27,28,29,30)
InChIKeyJVDOKQYTTYUYDV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
TG101209 (CHEBI:90304) has role antineoplastic agent (CHEBI:35610)
TG101209 (CHEBI:90304) has role apoptosis inducer (CHEBI:68495)
TG101209 (CHEBI:90304) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
TG101209 (CHEBI:90304) is a N-alkylpiperazine (CHEBI:46845)
TG101209 (CHEBI:90304) is a N-arylpiperazine (CHEBI:46848)
TG101209 (CHEBI:90304) is a pyrimidines (CHEBI:39447)
TG101209 (CHEBI:90304) is a secondary amino compound (CHEBI:50995)
TG101209 (CHEBI:90304) is a sulfonamide (CHEBI:35358)
IUPAC Name 
N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide
Synonyms  Source
TG-101209ChEBI
TG 101209ChEBI
Registry NumbersSources
Reaxys:12903888Reaxys
Citations