CHEBI:90304 - TG101209

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ChEBI Name TG101209
ChEBI ID CHEBI:90304
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H35N7O2S
Net Charge 0
Average Mass 509.669
Monoisotopic Mass 509.257
InChI InChI=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)
InChIKey JVDOKQYTTYUYDV-UHFFFAOYSA-N
SMILES C1(=CC=CC(=C1)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)N4CCN(CC4)C)S(NC(C)(C)C)(=O)=O
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 2.7.10.2 (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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
TG 101209 ChEBI
TG-101209 ChEBI
Registry Number Type Source
12903888 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17541402 PubMed citation Europe PMC
20652971 PubMed citation Europe PMC
21325979 PubMed citation Europe PMC
26227742 PubMed citation Europe PMC
Last Modified
10 November 2015