CHEBI:133818 - HG-9-91-01

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ChEBI Name HG-9-91-01
ChEBI ID CHEBI:133818
Definition A member of the class of phenylureas that is a potent inhibitor of salt-inducible kinase 2, a potential target protein for therapy in ovarian cancer.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
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Formula C32H37N7O3
Net Charge 0
Average Mass 567.682
Monoisotopic Mass 567.29579
InChI InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35)
InChIKey UYUHRKLITDJEHB-UHFFFAOYSA-N
SMILES N(C1=C(C=C(C=C1)OC)OC)(C=2C=C(NC3=CC=C(C=C3)N4CCN(CC4)C)N=CN2)C(NC5=C(C=CC=C5C)C)=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): salt-inducible kinase 2 inhibitor
Any protein kinase inhibitor that interferes with the action of salt-inducible kinase 2.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing HG-9-91-01 (CHEBI:133818) has role antineoplastic agent (CHEBI:35610)
HG-9-91-01 (CHEBI:133818) has role salt-inducible kinase 2 inhibitor (CHEBI:133891)
HG-9-91-01 (CHEBI:133818) is a N-alkylpiperazine (CHEBI:46845)
HG-9-91-01 (CHEBI:133818) is a N-arylpiperazine (CHEBI:46848)
HG-9-91-01 (CHEBI:133818) is a aminopyrimidine (CHEBI:38338)
HG-9-91-01 (CHEBI:133818) is a dimethoxybenzene (CHEBI:51681)
HG-9-91-01 (CHEBI:133818) is a phenylureas (CHEBI:134043)
HG-9-91-01 (CHEBI:133818) is a secondary amino compound (CHEBI:50995)
IUPAC Name
N-(2,4-dimethoxyphenyl)-N'-(2,6-dimethylphenyl)-N-{6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl}urea
Registry Number Type Source
24079892 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24745372 PubMed citation Europe PMC
25088745 PubMed citation Europe PMC
25114223 PubMed citation Europe PMC
26590148 PubMed citation Europe PMC
27224444 PubMed citation Europe PMC
27478041 PubMed citation SUBMITTER
Last Modified
26 November 2016