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Imidacrine , DNA topoisomerase II inhibitor, CAS No.6918316, DNA topoisomerase II inhibitor
Molecular Weight: 441.3
PubChem CID:
6918316
Basic Description
Synonyms
Imidacrine | 10-[2-(diethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrate;dihydrochloride | Imidazoacridinone | XF-02 | XJYNBZQTAZDMHZ-UHFFFAOYSA-N | NSC-645809 | CHEMBL3545337
Action Type
INHIBITOR
Mechanism of action
DNA topoisomerase II inhibitor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Benzoquinolines
Intermediate Tree Nodes
Acridines
Direct Parent
Acridones
Alternative Parents
Aminoquinolines and derivatives Hydroxyquinolines Hydroquinolones Hydroquinolines Benzimidazoles 1-hydroxy-2-unsubstituted benzenoids Secondary alkylarylamines Pyridines and derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Hydrochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Acridone - Aminoquinoline - Dihydroquinolone - Hydroxyquinoline - Dihydroquinoline - Benzimidazole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Secondary aliphatic/aromatic amine - N-substituted imidazole - Pyridine - Benzenoid - Vinylogous amide - Azole - Heteroaromatic compound - Imidazole - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Azacycle - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Hydrochloride - Amine - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
10-[2-(diethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrate;dihydrochloride
INCHI
InChI=1S/C20H22N4O2.2ClH.H2O/c1-3-23(4-2)10-9-21-15-6-7-16-19-18(15)20(26)14-11-13(25)5-8-17(14)24(19)12-22-16;;;/h5-8,11-12,21,25H,3-4,9-10H2,1-2H3;2*1H;1H2
InChIKey
XJYNBZQTAZDMHZ-UHFFFAOYSA-N
Smiles
CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O.O.Cl.Cl
Isomeric SMILES
CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O.O.Cl.Cl
PubChem CID
6918316
Molecular Weight
441.3
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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