CHEBI:229971 - DC_517

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ChEBI Name DC_517
ChEBI ID CHEBI:229971
Definition A member of the class of carbazoles that is 1,3-di(9H-carbazol-9-yl)propan-2-ol in which the hydroxy group is replaced by a 2-hydroxy-3-[(propan-2-yl)amino]propoxy group. It is a DNA methyltransferase 1 inhibitor (IC50 = 1.7 μM).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Jonathan Muyskens
Supplier Information
Download Molfile XML SDF
Formula C33H35N3O2
Net Charge 0
Average Mass 505.662
Monoisotopic Mass 505.27293
InChI InChI=1S/C33H35N3O2/c1-23(2)34-19-24(37)22-38-25(20-35-30-15-7-3-11-26(30)27-12-4-8-16-31(27)35)21-36-32-17-9-5-13-28(32)29-14-6-10-18-33(29)36/h3-18,23-25,34,37H,19-22H2,1-2H3
InChIKey BLTONWSCODZCNA-UHFFFAOYSA-N
SMILES CC(C)NCC(O)COC(CN1C2=C(C=CC=C2)C2=C1C=CC=C2)CN1C2=C(C=CC=C2)C2=C1C=CC=C2
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 2.1.1.37 [DNA (cytosine-5-)-methyltransferase] inhibitor
An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of DNA (cytosine-5-)-methyltransferase (EC 2.1.1.37).
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 DC_517 (CHEBI:229971) has role antineoplastic agent (CHEBI:35610)
DC_517 (CHEBI:229971) has role apoptosis inducer (CHEBI:68495)
DC_517 (CHEBI:229971) has role EC 2.1.1.37 [DNA (cytosine-5-)-methyltransferase] inhibitor (CHEBI:90190)
DC_517 (CHEBI:229971) is a carbazoles (CHEBI:48513)
DC_517 (CHEBI:229971) is a ether (CHEBI:25698)
DC_517 (CHEBI:229971) is a secondary alcohol (CHEBI:35681)
DC_517 (CHEBI:229971) is a secondary amino compound (CHEBI:50995)
DC_517 (CHEBI:229971) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
1-{[1,3-di(9H-carbazol-9-yl)propan-2-yl]oxy}-3-(propan-2-ylamino)propan-2-ol
Synonyms Sources
DC 517 ChEBI
DC-517 SUBMITTER
DC517 ChEBI
Registry Number Type Source
500017-70-9 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
25333769 PubMed citation Europe PMC
35670075 PubMed citation Europe PMC
36852448 PubMed citation Europe PMC
36988786 PubMed citation Europe PMC
37077808 PubMed citation Europe PMC
Last Modified
08 April 2024