CHEBI:95078 - methylstat

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ChEBI Name methylstat
ChEBI ID CHEBI:95078
Definition A member of the class of naphthalenes that is naphthalene substituted by a {[(4-{[(4-{hydroxy[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}butyl)amino]methyl}benzyl)oxy]carbonyl}amino group at position 1. It is an inhibitor of the Jumonji C domain-containing histone trimethyl demethylases.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H31N3O6
Net Charge 0
Average Mass 505.571
Monoisotopic Mass 505.22129
InChI InChI=1S/C28H31N3O6/c1-36-27(33)16-15-26(32)31(35)18-5-4-17-29-19-21-11-13-22(14-12-21)20-37-28(34)30-25-10-6-8-23-7-2-3-9-24(23)25/h2-3,6-16,29,35H,4-5,17-20H2,1H3,(H,30,34)/b16-15+
InChIKey MUJOCHRZXRZONW-FOCLMDBBSA-N
SMILES COC(=O)\C=C\C(=O)N(O)CCCCNCC1=CC=C(COC(=O)NC2=CC=CC3=CC=CC=C23)C=C1
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): 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 methylstat (CHEBI:95078) has role antineoplastic agent (CHEBI:35610)
methylstat (CHEBI:95078) has role apoptosis inducer (CHEBI:68495)
methylstat (CHEBI:95078) is a benzenes (CHEBI:22712)
methylstat (CHEBI:95078) is a carbamate ester (CHEBI:23003)
methylstat (CHEBI:95078) is a enamide (CHEBI:51751)
methylstat (CHEBI:95078) is a enoate ester (CHEBI:51702)
methylstat (CHEBI:95078) is a hydroxamic acid (CHEBI:24650)
methylstat (CHEBI:95078) is a methyl ester (CHEBI:25248)
methylstat (CHEBI:95078) is a naphthalenes (CHEBI:25477)
methylstat (CHEBI:95078) is a secondary amino compound (CHEBI:50995)
IUPAC Name
methyl (2E)-4-(hydroxy{4-[(4-{[(naphthalen-1-ylcarbamoyl)oxy]methyl}benzyl)amino]butyl}amino)-4-oxobut-2-enoate
Synonym Source
(2E)-4-[hydroxy[4-[[[4-[[[(1-naphthalenylamino)carbonyl]oxy]methyl]phenyl]methyl]amino]butyl]amino]-4-oxo-2-butenoic acid methyl ester ChEBI
Manual Xref Database
LSM-43292 LINCS
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Registry Number Type Source
1310877-95-2 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
21585201 PubMed citation Europe PMC
23725560 PubMed citation Europe PMC
25733903 PubMed citation Europe PMC
30589237 PubMed citation Europe PMC
31320500 PubMed citation Europe PMC
31509985 PubMed citation Europe PMC
31833715 PubMed citation Europe PMC
32111493 PubMed citation Europe PMC
35838529 PubMed citation Europe PMC
35985520 PubMed citation Europe PMC
36402192 PubMed citation Europe PMC
38421193 PubMed citation Europe PMC
Last Modified
18 July 2024